data_1pe3_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 1pe3 _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 ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 50.9 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 5.8 mtt180 -92.13 -178.44 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.6 t -116.28 19.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.32 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.61 -34.54 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.252 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.63 56.31 25.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -91.75 141.16 25.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.941 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -128.72 44.41 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.491 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 0.9 OUTLIER -62.76 122.12 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -168.55 154.29 6.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.476 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.06 55.25 3.92 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER -178.36 -26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 3.1 mt-10 -95.35 -47.63 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.491 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.7 -55.92 19.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -61.99 -6.79 3.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 21.3 t30 -106.0 -26.93 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.5 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.83 -30.48 22.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.54 22.73 1.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.502 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 75.4 m -121.7 175.63 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.6 t -122.3 126.44 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.5 t80 -90.76 122.91 33.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.1 t70 -91.12 -83.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.544 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 89.14 -16.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.75 -58.03 9.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' 1' ' 43' ' ' PRO . 0.2 OUTLIER -114.75 129.79 24.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.4 Cg_endo -75.04 -14.79 20.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.08 -8.11 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.58 169.11 7.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.553 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.01 114.01 3.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.54 28.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 38.0 t -170.81 103.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.339 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.659 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.14 -170.14 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.629 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.08 68.9 27.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.636 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.03 -97.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.746 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.58 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.37 31.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.1 mm-40 -54.06 -23.99 15.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' 1' ' 58' ' ' THR . 3.5 tt0 -39.2 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.34 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.25 25.34 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.478 ' O ' ' HG2' ' 2' ' 50' ' ' LYS . 4.5 t -104.98 -64.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.465 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.7 t -55.92 -46.54 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.658 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.5 mtt180 -90.86 176.46 6.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.5 t -105.72 18.55 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.606 1.191 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 86.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.9 t -42.39 -40.11 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.59 50.54 66.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.672 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -92.82 135.17 26.46 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 25.19 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.523 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -52.48 129.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.515 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -169.18 155.47 6.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.515 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.96 47.91 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -177.95 -17.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -100.26 -46.88 5.13 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.3 m -57.85 -56.24 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 108.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -59.65 -13.86 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -97.83 -25.2 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -86.63 -24.44 25.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.502 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.83 22.77 3.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.128 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.524 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 5.3 m -121.03 177.15 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.2 t -123.1 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 108.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 55.5 t80 -92.8 119.4 32.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.48 -83.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.83 -24.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 1.4 mtp180 -64.81 -43.39 93.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.412 ' HB ' HG11 ' 2' ' 45' ' ' VAL . 0.9 OUTLIER -120.77 106.04 40.0 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.67 12.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.808 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.71 -6.08 64.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.591 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.1 m -121.54 -176.12 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.591 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 118.65 5.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.507 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.16 28.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 107.994 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.617 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 33.8 t -168.89 101.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.671 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -170.91 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.504 ' CE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -116.78 67.87 4.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.644 ' HD3' ' C ' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -105.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -94.3 40.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.524 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 30.8 mm100 -46.91 -22.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 mt-10 -37.77 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.4 -70.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.5 mp0 -135.61 19.6 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.88 -63.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.479 HG22 ' N ' ' 2' ' 59' ' ' PHE . 15.2 t -57.04 -33.07 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.479 ' N ' HG22 ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.6 mtt180 -87.73 173.13 9.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 8.8 t -101.7 19.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.84 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.2 OUTLIER -49.92 -35.89 25.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.243 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.85 60.51 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.73 146.24 33.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.28 19.86 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -127.72 29.32 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.529 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.7 p -53.61 127.4 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.478 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -168.66 155.21 6.87 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 55.04 3.84 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.97 -21.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 1.7 mp0 -99.04 -47.6 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 11.1 m -56.11 -52.4 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 108.274 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -66.39 -3.78 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 42.5 t-20 -105.55 -27.91 11.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.573 ' CD ' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.35 -22.69 30.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.16 25.51 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 26.6 m -120.62 -178.01 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -129.41 122.87 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 69.9 t80 -87.8 122.02 30.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 20.2 t70 -91.11 -83.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.587 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.61 -17.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.971 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -60.68 -43.97 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.07 112.95 33.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -6.99 18.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.585 1.834 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.67 -4.9 63.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.603 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.4 m -120.34 -178.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.603 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.9 116.69 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.25 27.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 42.6 t -171.0 110.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.3 OUTLIER -148.88 -170.35 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.32 71.74 12.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.623 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.41 32.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.559 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.0 mm-40 -53.63 -20.33 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.244 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.99 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 24.11 7.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.03 -51.1 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.4 t -85.23 -37.81 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.9 mtt180 -90.79 178.76 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -110.5 21.57 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.1 t0 32.52 87.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 7.5 t -49.32 -36.95 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.67 53.11 48.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.58 139.38 29.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -10.47 21.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -122.86 30.42 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.534 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -50.25 120.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.432 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -168.71 153.96 6.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.456 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 51.31 2.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -174.83 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -98.36 -45.56 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.234 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.1 m -63.29 -55.69 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.34 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.75 -5.3 3.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 19.9 t30 -104.87 -29.12 10.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' 2' ' 31' ' ' CYS . 0.0 OUTLIER -86.77 -31.93 20.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 128.61 25.11 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.095 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 90.3 m -122.48 168.59 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.1 t -115.21 129.6 56.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 47.4 t80 -94.77 119.47 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.538 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.27 -83.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.538 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.2 t 86.1 -24.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -65.43 -43.22 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.432 ' HB ' HG12 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -121.22 106.77 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.512 1.796 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.04 -6.69 66.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.588 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.32 -175.64 0.36 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.588 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 121.4 6.52 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.455 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.97 27.21 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 107.979 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 25.8 t -168.52 101.48 0.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.392 1.057 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.43 -168.77 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.44 68.44 39.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.623 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.97 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.567 ' CD2' ' C ' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.06 35.53 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.52 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 36.7 mm-40 -53.84 -19.3 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.4 OUTLIER -44.85 -19.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.15 -63.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -144.69 16.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.37 -55.13 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 108.34 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 2.7 t -64.9 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.05 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.569 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 3.2 mtt180 -91.06 179.9 5.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -111.69 19.13 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 34.96 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -51.92 -34.22 40.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.1 57.66 18.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.01 144.2 29.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.08 45.02 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.479 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -61.45 120.99 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.566 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -170.17 154.18 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.444 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 58.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.584 1.834 . . . . 0.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -178.99 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -97.61 -46.43 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.18 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.35 -54.67 29.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -64.06 -4.77 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 24.2 t30 -107.39 -27.42 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.49 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.55 -30.76 23.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.606 1.191 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.78 23.59 1.17 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.49 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 71.3 m -121.47 176.26 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.551 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -123.29 123.4 40.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 108.361 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 58.4 t80 -90.1 120.79 31.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.8 t70 -86.99 -82.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 86.33 -14.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -64.4 -45.38 87.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.9 116.88 29.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.04 19.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.64 -2.95 64.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.542 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.65 178.41 1.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 115.44 4.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.466 1.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.5 27.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.089 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 48.6 t -170.98 107.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.397 1.061 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.39 -169.0 2.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.57 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.48 69.34 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -98.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.375 1.724 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.38 32.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.229 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.57 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.1 mm-40 -55.22 -22.67 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.2 OUTLIER -40.37 -26.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.71 -72.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 109.215 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.32 24.88 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.69 -58.07 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 108.319 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.5 t -66.81 -42.34 86.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.0 mtt180 -87.03 176.11 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -105.84 19.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 29.98 87.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -47.33 -33.98 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.337 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.44 49.37 77.2 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.543 1.152 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -86.87 133.93 38.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.734 . . . . 0.0 110.961 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.86 25.34 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.573 HG23 ' CE2' ' 2' ' 38' ' ' PHE . 1.2 p -45.75 121.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.53 ' HA ' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER -168.5 152.89 5.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.503 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -74.98 49.12 2.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.82 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -97.36 -45.53 6.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 17.7 m -62.33 -56.15 21.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -63.53 -6.95 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -100.63 -30.98 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -85.95 -29.82 23.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 126.12 24.27 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.486 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 63.4 m -121.48 166.68 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 1.8 t -114.96 130.4 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.573 ' CE2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t80 -99.37 118.33 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.1 t70 -81.58 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER 87.15 -14.57 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -68.14 -43.23 78.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.406 ' HB ' ' CG1' ' 2' ' 45' ' ' VAL . 0.3 OUTLIER -120.06 111.76 35.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.31 -2.56 60.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.542 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -119.75 179.93 0.8 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 115.09 4.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 28.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 108.02 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 23.2 t -169.53 102.08 0.33 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.544 1.152 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.63 -170.95 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.411 ' HG3' ' HG3' ' 2' ' 53' ' ' GLN . 2.9 mppt? -120.22 69.08 14.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.607 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -104.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.461 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -95.7 42.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' 2' ' 35' ' ' GLY . 21.4 mm100 -52.1 -18.96 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -40.96 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.95 -65.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.1 23.61 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -102.64 -54.91 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.283 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 7.2 t -66.0 -41.87 90.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 20.5 mtt180 -86.79 173.4 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.529 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.9 t -103.59 19.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.0 OUTLIER 30.81 90.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.28 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.33 -34.89 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.46 55.31 30.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.523 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -89.07 142.35 30.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.471 0.748 . . . . 0.0 110.952 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.81 37.63 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.573 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.489 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.1 p -56.08 118.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.21 153.25 7.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 59.03 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.7 OUTLIER 178.69 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -97.16 -46.26 6.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.0 m -63.82 -57.1 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -61.55 -7.1 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.1 t30 -106.09 -25.64 11.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.536 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.15 -26.04 22.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.231 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.81 21.92 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 81.8 m -120.03 173.91 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -121.27 122.65 40.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 108.355 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 74.0 t80 -90.46 121.64 32.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.187 . . . . 0.0 110.943 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 14.6 t70 -90.09 -84.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.587 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 89.16 -18.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.925 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -60.44 -44.96 95.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.76 113.58 33.1 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.21 18.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.53 -4.21 64.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.574 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.01 -179.27 0.68 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 117.66 4.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.581 1.832 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.24 27.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 44.3 t -170.98 107.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -142.27 -169.84 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.5 69.19 22.52 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.6 Cg_endo -74.92 -98.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.53 35.13 1.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.556 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 46.5 mm-40 -57.58 -18.89 22.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.435 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.51 -23.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -47.72 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.29 26.75 9.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 45.5 t -105.58 -74.43 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.463 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 1.5 t -68.6 -30.12 68.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' 1' ' 58' ' ' THR . 20.4 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.542 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 14.7 mtt180 -90.58 176.27 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 39.1 t -107.43 19.11 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 32.18 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -52.64 -33.59 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.33 56.35 23.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.81 141.87 28.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -12.38 21.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -123.1 32.72 5.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.525 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.506 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -51.25 118.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.468 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -170.04 155.09 5.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -173.06 -24.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -98.99 -44.76 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.386 1.054 . . . . 0.0 110.253 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 13.3 m -65.02 -53.59 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -65.69 -4.99 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -105.59 -27.9 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.475 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.99 -31.19 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.495 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 127.54 24.49 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.516 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 73.9 m -121.59 168.61 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.441 ' N ' ' OE1' ' 2' ' 53' ' ' GLN . 5.6 t -115.02 125.67 53.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 70.4 t80 -92.58 121.22 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.5 t70 -88.6 -83.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.579 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.11 -14.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -64.56 -45.73 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.41 113.94 31.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.92 16.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.44 -4.57 62.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.542 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 1.0 OUTLIER -120.75 -179.25 0.69 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.14 27.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 107.997 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 46.0 t -169.89 104.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.688 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.87 -167.91 2.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.496 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.19 62.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.67 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -95.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.068 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.424 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.3 OUTLIER -99.66 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.571 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 21.5 mm100 -49.75 -19.08 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' 2' ' 58' ' ' THR . 23.0 mt-10 -41.98 -24.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.13 -69.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -138.54 22.49 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.09 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' 2' ' 54' ' ' GLU . 10.1 t -61.31 -38.32 86.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.5 mtt180 -89.52 170.67 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 51.3 t -101.18 19.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 31.03 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.48 -35.65 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.82 34.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.404 1.065 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -89.32 141.36 28.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -11.79 21.52 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -123.68 34.3 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.516 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.0 OUTLIER -52.88 118.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -167.92 154.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 57.18 4.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.0 ttpt -179.42 -25.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -97.66 -45.39 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 6.6 m -64.44 -55.66 19.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -63.52 -5.55 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 21.5 t30 -106.01 -27.9 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.66 -30.19 23.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.45 24.04 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.499 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 85.0 m -121.59 175.15 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.533 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.9 t -121.18 123.53 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 75.9 t80 -91.0 121.77 33.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.8 t70 -90.03 -84.52 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.54 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -60.8 -45.22 95.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.425 ' HB ' HG12 ' 1' ' 45' ' ' VAL . 0.7 OUTLIER -120.7 111.85 34.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.63 -5.09 60.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.585 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.2 m -120.61 -177.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.585 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 117.07 4.78 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.6 27.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 43.8 t -170.79 106.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.36 -169.62 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.529 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.3 OUTLIER -121.87 69.5 26.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.03 -100.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 35.02 1.02 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.529 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 42.1 mm-40 -54.56 -18.45 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.427 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 1.9 pt-20 -42.82 -25.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.87 -70.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.1 mm-40 -129.08 25.72 5.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 3.6 t -105.28 -58.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.45 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.1 t -63.69 -42.91 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.4 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 44.4 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.1 mtt180 -91.97 178.38 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.0 t -108.14 18.97 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.63 84.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.568 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -47.47 -36.01 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.256 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.59 58.21 13.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.629 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.73 139.99 26.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.8 t-80 -126.21 13.58 7.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.621 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.515 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -37.79 126.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.529 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.6 OUTLIER -167.81 153.14 6.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.533 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.97 47.61 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.1 tttp -178.54 -17.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -98.67 -45.08 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 58.9 m -55.34 -55.03 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.6 m-80 -61.27 -12.78 14.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.402 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 19.7 t-20 -92.84 -31.46 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.629 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.6 -25.95 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.23 24.81 2.87 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.9 m -121.2 169.6 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.502 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.3 t -113.32 133.18 55.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 108.217 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 37.9 t80 -96.79 117.34 30.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.566 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -76.07 -83.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 86.62 -23.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 4.3 mtp180 -65.09 -44.41 88.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.424 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -120.66 106.78 39.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.03 11.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.23 -5.96 65.16 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.562 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.89 -176.53 0.42 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 118.63 5.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.459 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.59 30.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 8.7 t -166.75 106.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.412 1.07 . . . . 0.0 108.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -145.4 -169.53 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.555 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -124.33 69.9 52.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.613 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.97 -94.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.32 37.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.553 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.5 mm100 -51.75 -19.51 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.5 pt-20 -42.54 -23.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.08 -68.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.88 21.3 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.2 OUTLIER -99.31 -54.83 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.264 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.427 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 7.0 t -60.29 -37.27 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 1' ' 50' ' ' LYS . 17.3 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.629 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 5.5 mtt180 -92.04 170.86 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.3 t -104.16 19.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.71 88.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.518 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -50.56 -37.35 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.15 60.75 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.46 145.64 31.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 111.043 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -9.31 20.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -125.19 23.62 7.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.607 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.564 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -47.92 125.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.464 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -167.22 155.33 8.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.578 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 54.75 3.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.26 -20.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -100.14 -44.56 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.0 m -56.6 -51.77 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -69.42 -2.32 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 49.3 t-20 -105.14 -27.46 11.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.5 -23.88 27.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.45 26.69 2.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 39.5 m -119.88 -177.34 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.547 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.7 t -128.88 124.71 35.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 78.5 t80 -88.28 121.42 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.0 t70 -89.76 -84.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.0 -15.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.935 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -61.32 -46.47 90.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.54 115.69 32.33 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.526 1.142 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -6.68 18.32 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -4.72 61.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -118.63 -179.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.02 117.21 4.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.93 28.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 43.5 t -171.74 111.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.646 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -149.11 -170.56 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.597 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.08 14.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.646 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.92 -97.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.18 31.55 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.597 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.9 mm100 -53.92 -20.92 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.424 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.91 -26.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.67 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 3.5 mt-10 -124.38 24.62 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.423 ' HA ' ' NZ ' ' 2' ' 50' ' ' LYS . 3.2 t -105.52 -54.33 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -82.31 -29.93 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 11.7 mtt180 -90.95 171.6 9.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.2 t -98.2 14.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 34.51 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -51.37 -36.84 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 108.302 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.25 59.63 8.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.647 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.18 139.9 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.61 0.829 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.528 ' CD2' ' OE2' ' 2' ' 30' ' ' GLU . 0.1 OUTLIER -125.6 13.37 8.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.64 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.53 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -38.97 126.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.51 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -168.75 155.23 6.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.43 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.51 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.99 47.87 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER -179.09 -15.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.528 ' OE2' ' CD2' ' 2' ' 25' ' ' HIS . 1.2 mt-10 -100.98 -45.64 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.4 m -55.68 -55.25 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -61.9 -12.43 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -93.46 -30.18 15.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.647 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.89 -25.15 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.334 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.99 24.2 3.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.6 m -121.71 171.96 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.0 t -117.15 129.2 55.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 108.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 67.8 t80 -93.41 121.13 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 21.9 t70 -88.49 -83.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 89.06 -17.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -62.1 -43.07 99.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.424 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.1 mt -122.09 109.31 33.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -4.96 16.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -6.68 64.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.556 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.0 -176.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.556 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.03 118.28 5.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 29.47 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.028 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 12.5 t -168.79 105.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.639 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.53 -167.77 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -120.74 69.77 17.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.639 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -97.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.575 ' CD2' ' C ' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.2 34.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.563 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.9 mm100 -49.84 -20.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.4 pt-20 -37.5 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.3 -59.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.37 15.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.71 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.428 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 13.9 t -54.08 -45.74 71.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.507 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 37.0 t0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.654 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 14.4 mtt180 -49.89 -179.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 21.7 t -114.97 19.75 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 33.38 87.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.1 -35.84 17.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.148 . . . . 0.0 108.315 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.45 60.69 7.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.642 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.38 140.42 24.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -6.75 18.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -122.04 13.17 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.581 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.542 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -36.83 128.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.05 153.27 7.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.405 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 51.94 2.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.23 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -96.41 -44.55 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.2 m -55.99 -50.93 69.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -69.56 -1.63 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.5 t-20 -105.3 -29.05 10.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.642 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.22 -24.73 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.43 25.37 2.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 33.8 m -119.93 179.79 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.3 t -125.29 124.0 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 61.4 t80 -89.39 122.03 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.3 t70 -90.34 -83.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.596 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -16.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -58.56 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.67 124.25 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.83 21.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.97 -10.07 65.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.168 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.56 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.11 170.26 5.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.56 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.48 29.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.563 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 13.9 t -170.23 103.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.654 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -142.87 -171.8 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.573 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 70.71 24.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.643 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -98.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.83 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.55 34.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.573 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 47.7 mm-40 -55.05 -23.32 19.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -40.6 -26.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.98 -71.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.44 27.41 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.9 t -106.18 -57.91 1.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -71.78 -49.25 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.564 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.7 mtt180 -89.97 -179.29 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 26.1 t -112.49 20.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.88 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.2 -34.45 57.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 108.294 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.95 56.45 23.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.412 ' CE1' ' NE ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.72 142.14 28.98 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.36 21.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -123.42 30.29 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.564 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.513 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -49.31 116.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.549 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -166.91 154.79 8.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 50.27 2.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.8 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -99.17 -45.19 5.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 110.208 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 15.1 m -62.81 -55.94 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.342 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.81 -6.66 6.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -101.87 -29.42 11.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.448 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -31.65 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.517 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 128.5 24.04 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.515 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 75.6 m -120.54 166.77 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.471 ' N ' ' OE1' ' 2' ' 53' ' ' GLN . 4.1 t -113.82 128.64 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 45.6 t80 -93.82 120.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.581 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -82.7 -83.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.581 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 85.5 -22.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.412 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 8.3 mtp85 -65.41 -42.61 92.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.88 106.87 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.24 -6.37 64.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.591 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.63 -175.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.591 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 118.91 5.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.13 27.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.013 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 28.9 t -168.23 104.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.28 -168.16 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' 1' ' 59' ' ' PHE . 0.0 OUTLIER -125.86 68.51 62.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.641 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.98 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -98.28 38.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.55 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 21.1 mm100 -47.22 -20.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -37.38 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.31 -70.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -131.69 17.95 4.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.07 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.55 -77.27 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.434 ' HB ' ' CB ' ' 1' ' 58' ' ' THR . 6.0 t -40.35 -41.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 10.4 t70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.0 mtt180 -47.48 176.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 5.0 t -110.63 20.95 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.57 91.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.23 -34.89 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 108.332 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.21 55.24 31.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.089 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.41 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.38 140.77 27.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -6.48 18.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.19 43.35 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.624 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.494 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -61.15 120.45 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.04 153.04 7.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.59 4.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER 179.35 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -96.6 -46.11 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.203 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 2.3 m -63.59 -56.29 17.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -62.4 -7.11 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.7 t30 -105.24 -26.31 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.53 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -86.7 -25.69 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.515 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.14 22.51 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.53 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 78.7 m -119.44 177.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -124.63 124.68 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.257 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 57.3 t80 -90.37 119.91 31.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.13 -83.9 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 85.63 -22.96 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.95 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -65.87 -43.15 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.442 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 1.1 mt -121.34 107.74 36.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -4.77 15.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.49 -6.92 67.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.607 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.1 m -120.84 -175.13 0.33 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.607 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 122.98 7.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.494 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -93.97 25.48 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 43.6 t -167.7 104.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.662 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -141.04 -170.07 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.612 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.66 69.59 45.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.624 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -97.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.99 32.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.612 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.3 mm100 -52.66 -19.89 2.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.4 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.31 23.97 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.33 -54.81 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.475 ' HA ' ' CD ' ' 2' ' 53' ' ' GLN . 0.9 OUTLIER -90.11 -13.05 36.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 1' ' 58' ' ' THR . 5.8 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.3 mtt180 -91.5 -178.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.9 t -111.34 19.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 32.62 87.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.62 -33.28 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 108.283 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.55 61.97 1.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.606 ' CE2' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.91 148.02 37.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.96 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.74 17.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.24 15.51 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.492 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -42.77 121.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.416 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.3 OUTLIER -163.95 158.51 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.415 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.466 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.97 48.16 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.426 1.751 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.416 ' N ' HG22 ' 2' ' 27' ' ' THR . 1.7 tttp -179.88 -22.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -93.49 -43.36 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.8 m -55.43 -57.54 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -60.09 -15.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.517 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 6.9 t30 -85.07 -36.37 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.606 ' CD ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -80.82 -24.56 38.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.6 19.16 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.2 m -107.31 178.39 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -124.63 125.25 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 56.6 t80 -88.83 122.62 32.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -87.14 -82.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 84.21 -23.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 110.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 10.9 mtp180 -62.78 -41.43 99.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.41 107.51 34.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.65 -7.68 64.59 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.604 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.1 m -121.1 -175.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.604 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.99 117.5 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 111.036 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.537 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.1 28.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 19.5 t -171.27 108.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.0 -169.16 2.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.565 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.55 67.96 29.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.665 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.98 -96.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.478 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -102.2 41.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.615 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -41.87 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -43.12 -23.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.07 -62.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 3.4 tt0 -149.12 19.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -69.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.1 t -51.65 -43.32 62.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.599 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 13.8 mtt180 -90.15 168.51 11.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -96.3 17.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.84 88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -51.81 -36.51 48.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.88 60.77 4.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.47 145.56 31.58 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.06 21.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -118.28 10.8 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.586 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.525 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.3 p -36.05 126.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.27 154.75 9.85 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 53.43 3.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.1 -22.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -95.45 -43.48 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.2 m -56.03 -53.3 58.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -66.17 -5.64 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.1 t-20 -99.81 -30.85 11.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.615 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.88 -22.96 33.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.42 25.88 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 24.2 m -118.51 -179.38 3.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 2.6 t -126.72 121.76 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 108.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 69.2 t80 -87.96 121.15 30.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.8 t70 -89.82 -84.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.623 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 89.69 -16.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -62.35 -42.54 99.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.471 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.6 109.54 34.39 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.38 -5.96 61.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.551 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.93 -176.55 0.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.551 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 116.31 4.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 29.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.8 t -171.25 110.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.599 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.25 -169.66 3.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.509 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.19 71.82 17.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.588 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.01 -102.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.69 34.86 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.509 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.3 mm-40 -52.19 -19.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.1 OUTLIER -40.71 -26.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.1 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.426 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 6.5 mt-10 -124.41 25.63 7.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.28 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.5 t -103.95 -64.18 1.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.452 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -61.17 -28.75 69.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.575 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 10.0 mtt180 -91.36 172.63 8.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -100.24 16.37 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 34.05 83.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.546 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.69 -34.52 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.76 61.53 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.088 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.616 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.58 144.25 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 0.814 . . . . 0.0 110.941 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.09 19.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.9 m80 -120.9 10.76 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.632 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.519 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 2.1 p -35.81 123.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.48 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.1 154.35 8.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.48 ' N ' HG22 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.11 2.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 14.7 tttt -178.09 -18.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -100.06 -44.67 5.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.4 m -55.78 -55.27 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -62.01 -12.57 19.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.09 -28.14 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.616 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.78 -25.15 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 118.26 24.27 3.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 47.9 m -121.87 170.22 10.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.513 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -116.17 128.57 55.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 51.0 t80 -96.24 118.32 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.2 t70 -84.77 -80.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.85 -15.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -66.81 -40.66 88.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.4 ' HB ' HG12 ' 2' ' 45' ' ' VAL . 1.2 mt -121.89 108.18 35.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.9 14.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.22 -7.19 62.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.08 -177.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.416 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.51 28.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 107.986 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.7 t -169.68 107.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.658 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -146.6 -168.32 2.99 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.51 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 70.57 21.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.658 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -95.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.831 . . . . 0.0 111.04 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.38 40.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.51 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.5 mm-40 -56.37 -13.27 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -51.6 -17.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -33.82 -67.81 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' 2' ' 59' ' ' PHE . 34.9 mt-10 -138.76 11.4 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -89.34 -61.17 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.409 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 4.9 t -61.34 -25.66 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 20.6 t70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.652 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.1 mtt180 -46.09 174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 98.0 t -110.28 19.04 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.13 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -55.77 -34.53 65.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.356 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.0 55.77 28.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.554 1.159 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.61 142.24 27.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 -9.95 21.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -127.92 40.52 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.486 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.1 p -58.07 118.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -169.35 154.61 5.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 57.92 4.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.1 ttpm? -179.2 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.9 OUTLIER -98.18 -46.49 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -64.32 -55.14 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.493 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -63.87 -5.16 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.2 t30 -106.7 -27.49 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.358 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.532 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.86 -30.34 22.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 128.24 22.91 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.532 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 75.3 m -120.76 174.57 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.49 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.1 t -120.9 125.58 47.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.41 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.8 t80 -91.12 120.72 32.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.8 t70 -87.21 -84.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.63 -16.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -62.06 -46.62 88.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.437 ' HB ' ' CG1' ' 1' ' 45' ' ' VAL . 0.7 OUTLIER -120.74 116.86 31.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.22 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.56 20.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.97 -3.64 65.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.529 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.02 -179.74 0.73 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 119.63 5.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.769 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.3 25.22 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' 1' ' 26' ' ' VAL . 44.7 t -169.22 110.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 108.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.652 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -145.86 -169.97 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.58 70.38 46.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.38 34.63 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.571 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.4 mm100 -50.36 -25.67 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.507 ' HA ' ' H ' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -35.33 -30.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.26 -64.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.57 8.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' HB2' ' C ' ' 1' ' 53' ' ' GLN . 0.8 OUTLIER -92.79 -90.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 108.256 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.507 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 1.2 t -43.88 -27.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.471 ' C ' ' O ' ' 1' ' 58' ' ' THR . 32.0 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 17.4 mtt180 -89.71 175.51 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 47.0 t -105.29 19.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 32.61 90.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.576 ' HB2' ' HA ' ' 2' ' 49' ' ' PHE . 5.1 t -51.14 -36.72 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.355 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.59 84.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.56 138.54 41.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -8.43 20.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.576 1.83 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.67 24.52 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.569 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.572 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.8 OUTLIER -43.71 116.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.489 ' HA ' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER -165.33 153.46 10.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.437 ' N ' HG22 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.08 51.66 2.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.8 tttt -175.44 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -98.27 -44.07 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.3 m -61.89 -56.5 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 108.343 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.74 -5.32 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.2 t30 -103.57 -27.44 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.509 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -88.23 -31.04 19.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.76 22.48 1.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.514 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.0 m -120.16 172.88 7.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.438 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.6 OUTLIER -120.49 126.38 50.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 108.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' 2' ' 27' ' ' THR . 30.7 t80 -91.78 123.78 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.5 t70 -88.47 -83.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 87.88 -15.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -68.86 -41.87 77.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.45 ' CG2' HG12 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -120.73 111.81 34.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.28 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.57 -3.52 62.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.516 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER -119.67 -179.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 117.16 4.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.89 26.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.564 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 33.0 t -171.38 102.67 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 108.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -136.54 -169.42 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 67.18 31.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.7 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.93 -91.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.449 1.762 . . . . 0.0 111.05 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.591 ' CD1' ' C ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -105.36 26.14 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -48.97 -20.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.473 ' N ' ' NE2' ' 2' ' 53' ' ' GLN . 0.3 OUTLIER -38.63 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -36.98 -72.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 10.5 pt-20 -116.7 18.65 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -102.9 -54.94 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 108.278 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.457 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 0.7 OUTLIER -76.47 -41.45 47.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.411 1.069 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.1 mtt180 -87.93 -176.47 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.0 t -113.24 22.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.543 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 29.2 87.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -49.61 -33.6 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 56.7 19.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.522 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -89.77 140.41 27.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 111.04 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.04 17.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 37.46 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.482 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 0.9 OUTLIER -57.46 121.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.64 153.01 10.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.435 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.571 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 55.01 3.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.4 tttt 178.82 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -93.88 -46.4 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.16 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -60.06 -7.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.5 t30 -106.12 -25.95 11.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.55 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -26.24 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 124.55 21.14 2.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.553 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 92.6 m -120.36 171.09 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.558 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.4 t -118.66 127.74 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 31.9 t80 -89.69 124.72 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 42.3 t0 -81.18 -86.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.8 t 87.84 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 11.0 mtp85 -65.26 -40.97 94.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.519 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -120.82 102.91 43.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.376 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -3.8 14.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.24 -5.09 64.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.102 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.595 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.44 -175.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.595 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 119.98 5.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.484 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -92.57 29.9 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.6 t -168.5 102.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 108.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.685 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -135.72 -169.61 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.609 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.87 67.69 42.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.98 -98.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.816 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.571 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.04 33.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.609 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.4 mm-40 -58.1 -26.01 62.06 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -41.44 -25.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.16 -64.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -134.5 24.56 3.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -103.72 -55.17 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 108.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.583 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.3 t -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' 1' ' 58' ' ' THR . 18.8 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.1 mtt180 -89.76 177.27 6.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.4 t -108.84 20.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.9 89.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.4 OUTLIER -52.5 -32.87 42.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 54.88 31.01 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.62 139.88 29.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.779 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -9.41 20.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -123.13 28.03 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.52 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -47.45 119.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -169.57 154.65 5.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.472 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 51.38 2.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -174.36 -23.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -98.29 -45.76 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 26.6 m -62.79 -56.2 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 108.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.48 -5.84 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 18.4 t30 -103.99 -28.86 11.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.52 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -87.13 -29.99 21.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.5 1.48 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.0 m -121.18 168.8 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.1 t -114.72 129.03 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 108.371 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 50.5 t80 -93.83 119.22 32.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -81.16 -83.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.579 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.77 -23.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 0.1 OUTLIER -65.19 -42.14 93.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.447 ' CG2' HG12 ' 2' ' 45' ' ' VAL . 1.2 mt -120.54 106.57 39.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 -5.89 63.01 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.586 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.29 -175.76 0.37 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.586 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.08 118.76 5.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.506 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.38 27.68 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.052 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 35.1 t -168.63 104.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -168.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.94 69.16 57.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.617 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.96 -94.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -98.79 40.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.541 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.2 mm100 -55.47 -17.13 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.555 ' N ' ' HG1' ' 1' ' 58' ' ' THR . 23.6 mt-10 -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -38.31 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -133.68 26.97 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.02 -66.43 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.468 HG21 ' CB ' ' 2' ' 54' ' ' GLU . 10.2 t -60.29 -38.5 83.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 1.1 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 10.3 mtt180 -90.49 174.31 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -109.31 21.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.9 89.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -51.41 -33.4 30.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.306 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.99 57.78 15.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.447 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 143.56 29.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -9.83 20.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -130.36 44.68 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.496 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -61.71 120.91 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -168.96 153.84 5.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.528 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.04 58.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.8 OUTLIER 179.38 -26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -97.25 -46.31 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.4 m -64.04 -56.33 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -62.08 -7.47 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.8 t30 -105.99 -25.15 12.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -87.91 -25.65 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.505 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.34 21.74 2.45 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.617 1.198 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 77.8 m -120.52 175.24 6.09 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.563 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.54 124.95 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 108.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.9 t80 -91.04 122.46 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.5 t70 -90.31 -83.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.13 -16.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.17 -56.36 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.4 126.57 27.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.47 20.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.557 1.819 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.72 -9.14 66.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.568 1.168 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.8 169.51 6.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.554 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.03 28.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 37.9 t -170.99 103.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 108.252 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -139.42 -169.34 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.35 68.65 29.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.645 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.13 -97.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.407 1.74 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -92.85 32.04 1.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.2 mm-40 -56.19 -22.4 28.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.437 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.93 -25.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.17 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.2 OUTLIER -124.94 26.01 7.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.27 -57.81 2.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 108.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -67.34 -38.66 85.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -91.48 171.93 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 16.6 t -101.06 18.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.46 85.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.532 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -50.94 -36.95 41.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 60.74 6.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.44 141.11 25.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 111.022 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -125.71 13.75 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.522 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -39.01 125.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.49 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.88 155.21 7.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.502 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.3 tttp -178.35 -15.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.9 OUTLIER -101.27 -45.35 5.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.1 m -56.1 -54.77 41.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -63.06 -11.41 19.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.466 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 32.7 t-20 -95.59 -27.36 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.75 -26.05 23.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.494 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.12 25.43 2.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 53.8 m -122.41 175.69 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -120.62 128.29 52.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 108.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 70.8 t80 -92.78 120.74 33.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -89.46 -82.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 86.98 -15.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.032 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -43.1 94.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.433 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -121.51 111.16 33.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -6.64 18.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.74 -6.18 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.615 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.4 m -121.14 -178.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.225 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.615 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.5 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.419 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.61 27.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 20.2 t -169.39 105.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.661 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -144.11 -168.43 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.55 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -119.85 69.53 13.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.661 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.02 -96.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.543 ' CD2' ' C ' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.51 38.14 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.55 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 30.1 mm100 -55.09 -17.68 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 11.4 pt-20 -47.35 -21.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.44 -64.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.36 22.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.4 OUTLIER -101.84 -53.02 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.454 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 6.0 t -62.84 -41.75 99.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.5 mtt180 -87.68 173.11 9.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 33.6 t -101.7 19.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 29.51 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -48.26 -34.77 10.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 108.361 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.86 61.21 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.39 142.92 27.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 111.075 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.82 18.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.86 18.21 8.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.539 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.17 126.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.78 154.3 11.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.03 52.45 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.51 -21.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -95.52 -44.07 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.1 m -56.19 -52.01 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -67.44 -3.44 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.8 t30 -101.3 -33.45 10.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.93 -23.69 41.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.69 25.54 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 27.4 m -117.85 -178.6 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.8 t -127.71 123.68 36.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.3 t80 -87.84 122.39 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 12.7 t70 -90.65 -85.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 1.1 t 90.58 -19.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 40.7 mtm180 -57.83 -45.93 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -120.62 113.6 33.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.602 1.189 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.5 16.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.45 -3.91 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.564 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.26 -178.73 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.421 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.13 28.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.1 t -170.43 109.35 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -146.8 -170.86 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.53 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.84 72.16 21.74 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.597 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.07 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.26 35.5 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.53 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -55.32 -24.68 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.7 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.22 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.45 24.11 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 13.8 t -101.38 -74.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 108.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.47 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 9.2 t -58.91 -25.32 63.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.46 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.6 t80 . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.1 mtt180 -90.72 172.32 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.522 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 58.8 t -99.99 18.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 30.51 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.1 -35.99 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 108.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 58.48 12.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.614 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -90.76 139.55 26.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.4 13.92 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.533 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -38.64 126.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.461 ' C ' ' CD2' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -166.07 153.64 9.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' 2' ' 29' ' ' LYS . 18.2 Cg_endo -75.08 47.42 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -178.85 -20.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -94.41 -45.63 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.2 m -54.58 -57.54 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.7 m-80 -58.48 -14.79 8.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -91.66 -31.14 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.614 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.64 -24.64 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 119.31 20.59 3.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.1 m -121.11 164.45 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.522 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -109.55 135.82 49.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CD2' ' C ' ' 2' ' 27' ' ' THR . 33.8 t80 -97.92 117.42 32.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.578 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.25 -83.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.578 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.06 -23.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -65.87 -43.81 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.483 ' CG2' HG12 ' 2' ' 45' ' ' VAL . 1.2 mt -119.92 106.01 42.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -3.32 13.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.7 -5.77 64.44 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.034 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.576 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.42 -176.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.576 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 120.15 5.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.489 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -94.4 30.03 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.594 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 5.8 t -165.92 104.59 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.603 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -145.0 -169.86 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' CD ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.77 70.3 27.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -100.19 42.53 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' OE1' ' CA ' ' 2' ' 36' ' ' CYS . 17.8 mm-40 -52.65 -15.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -45.97 -21.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -37.52 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.47 15.0 9.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -91.82 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 108.31 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.464 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 9.0 t -50.26 -36.86 33.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.3 mtt180 -92.69 176.13 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.3 t -108.7 20.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 33.83 91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.78 -34.36 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.54 57.07 21.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.48 144.02 30.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -12.49 21.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.431 1.753 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -127.81 44.46 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.591 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.479 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.0 OUTLIER -61.31 119.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.422 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -167.52 154.56 7.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.565 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.07 57.39 4.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 ttpt -179.46 -25.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -97.47 -46.59 6.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.4 m -64.29 -55.53 20.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.496 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -63.25 -5.52 3.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.5 t30 -106.5 -27.61 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -85.54 -30.17 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.06 23.42 1.29 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 73.7 m -120.96 174.87 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.581 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.8 t -121.4 126.54 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 53.2 t80 -91.47 120.78 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.588 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.01 -82.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.48 -23.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.444 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 11.3 mtm105 -63.21 -44.24 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.448 ' CG2' HG12 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -120.26 111.21 35.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.97 -7.87 19.59 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.513 1.796 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.37 -2.87 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.574 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.71 -178.31 0.57 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.21 5.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.485 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.26 27.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 107.966 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.7 t -169.55 107.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -142.44 -169.5 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.608 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 68.54 35.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.632 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.49 31.59 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.608 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.7 mm-40 -54.16 -19.19 4.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 2.9 pt-20 -41.52 -25.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.01 -71.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.493 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 10.5 mt-10 -124.11 21.9 8.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.48 -58.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.3 t -71.61 -35.15 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.7 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.572 ' NH1' ' CG1' ' 2' ' 45' ' ' VAL . 5.6 mtt180 -91.74 175.22 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -107.05 18.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 33.9 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.27 -36.11 19.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.59 61.93 4.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.648 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -92.16 145.18 30.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 110.97 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -8.62 20.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -120.55 10.25 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.487 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -36.96 125.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.522 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.68 155.03 8.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.551 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 48.62 2.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER -179.02 -17.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 1.6 mt-10 -99.38 -44.78 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 61.4 m -55.4 -54.89 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 108.226 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -62.82 -11.03 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.89 -30.3 14.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.648 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.95 -25.72 25.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.19 24.83 2.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.7 m -120.86 169.12 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.4 t -114.17 129.95 56.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 52.8 t80 -94.97 118.46 31.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.6 t70 -84.94 -81.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 89.03 -18.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 6.9 mtp-105 -55.63 -60.91 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' 2' ' 45' ' ' VAL . 0.1 OUTLIER -108.59 126.76 28.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.47 21.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.55 -8.41 64.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.572 ' CG1' ' NH1' ' 2' ' 18' ' ' ARG . 0.4 OUTLIER -106.41 169.09 7.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.542 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.18 29.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.591 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 10.0 t -169.99 103.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.667 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.2 -169.79 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.54 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -123.75 70.58 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.667 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.08 -93.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.411 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.3 OUTLIER -101.57 37.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.519 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm100 -48.52 -21.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.46 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.362 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.53 -62.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 10.2 mt-10 -143.48 19.27 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.31 -56.41 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.343 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.427 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.3 t -64.94 -35.39 81.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.613 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.7 mtt180 -89.97 174.99 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.3 t -106.3 19.4 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 32.56 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.53 -35.21 19.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.46 60.94 4.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.628 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.29 143.16 27.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 111.074 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -126.18 16.82 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.505 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.28 127.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.03 156.34 9.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.456 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.09 52.8 3.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 175.53 -20.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -96.3 -44.19 7.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.1 m -55.48 -52.97 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -67.99 -2.32 7.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 14.8 t-20 -100.3 -34.76 9.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.628 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.89 -24.93 40.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.26 25.44 2.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.487 ' CA ' ' O ' ' 1' ' 49' ' ' PHE . 14.6 m -116.42 -177.31 3.15 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -128.49 122.41 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 108.226 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 75.0 t80 -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 25.3 t70 -89.8 -82.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.09 -17.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -61.9 -42.08 98.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.426 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 1.1 mt -122.56 109.25 32.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.53 61.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.53 -176.38 0.41 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.365 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -74.84 116.39 4.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.403 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.09 28.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.045 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.6 t -169.68 108.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.75 -170.75 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.31 71.52 12.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.638 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.96 -98.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.94 36.07 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.546 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 55.0 mm-40 -57.79 -17.59 16.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.525 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.4 pt-20 -50.27 -19.41 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -35.96 -69.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.77 15.12 8.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' 1' ' 58' ' ' THR . 46.3 t -96.89 -89.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.525 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.3 t -32.03 -39.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' 1' ' 57' ' ' CYS . 5.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.9 mtt180 -90.26 174.85 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 15.8 t -104.69 21.39 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 29.71 85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.5 -33.43 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.53 59.51 5.3 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.56 1.162 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.87 142.25 27.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.982 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.43 16.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -121.43 9.82 10.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 109.632 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.472 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -37.0 124.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.425 HG21 ' N ' ' 2' ' 29' ' ' LYS . 0.3 OUTLIER -166.5 158.21 11.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 47.62 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER 178.8 -19.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -93.47 -45.47 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 68.7 m -54.04 -57.15 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.3 m-80 -60.97 -12.74 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -87.79 -36.06 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.659 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.74 -25.33 32.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.481 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.86 22.6 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.3 m -115.15 170.01 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.8 t -114.59 131.07 56.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 53.0 t80 -93.24 120.37 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.55 -83.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 85.14 -23.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.408 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 8.6 mtp180 -64.66 -42.34 95.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.423 ' HB ' HG12 ' 2' ' 45' ' ' VAL . 1.1 mt -120.67 106.89 39.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -4.07 14.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.76 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -5.74 65.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.595 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.08 -175.96 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.595 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 111.05 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.529 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.54 26.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.08 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 11.4 t -167.48 106.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 108.261 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.34 -169.8 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 70.63 66.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.0 -92.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.64 39.22 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.551 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.9 mm100 -50.6 -18.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.1 OUTLIER -42.65 -25.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.093 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.19 -70.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.88 17.69 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 t -93.41 -70.97 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 7.7 t -47.93 -38.35 16.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 45.9 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.554 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 5.5 mtt180 -91.33 177.03 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' 1' ' 20' ' ' ASP . 2.7 t -111.45 18.83 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 35.88 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.64 -35.1 60.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.23 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.31 56.69 23.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' CE1' ' NE ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -91.36 142.74 27.32 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -13.29 21.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -123.5 36.41 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.527 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.49 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 0.8 OUTLIER -54.14 117.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.402 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -168.8 153.53 5.91 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 60.01 5.33 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.1 tttt 179.48 -27.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -97.93 -45.5 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 110.22 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.7 m -64.31 -54.72 28.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -64.84 -5.02 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.8 t30 -107.55 -26.0 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -86.69 -33.19 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.217 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 131.85 22.31 0.94 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 70.8 m -120.94 176.44 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.538 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.8 t -123.98 122.73 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 67.7 t80 -89.06 122.67 32.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.4 t70 -88.97 -84.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.31 -15.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -63.6 -45.99 87.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.82 115.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.38 19.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.52 -3.58 66.65 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.547 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -119.75 179.16 0.93 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 116.65 4.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.1 28.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.3 t -172.06 108.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -143.21 -168.73 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 111.048 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.557 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.12 69.31 28.79 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.609 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.95 -99.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.481 1.78 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.1 35.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.532 1.145 . . . . 0.0 109.17 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.557 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.2 mm-40 -57.44 -21.71 38.61 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.9 pt-20 -45.38 -22.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.12 -64.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.23 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.47 17.74 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -98.33 -87.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 108.294 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.5 t -38.3 -35.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 46.5 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 40.2 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.693 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 16.0 mtt180 -44.19 170.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.0 t -107.03 22.1 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.32 88.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.596 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.4 t -49.03 -35.41 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 108.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.22 54.48 37.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.402 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -89.85 136.17 29.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -1.95 11.91 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 24.26 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.4 1.063 . . . . 0.0 109.587 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -46.74 124.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.471 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -170.81 156.31 4.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.584 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 49.0 2.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.2 OUTLIER -176.74 -18.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -99.23 -44.96 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.0 m -61.97 -57.72 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.0 -6.08 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 12.0 t30 -101.47 -29.5 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.503 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -87.25 -29.99 21.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.25 23.09 1.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.4 m -121.34 167.59 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.633 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -108.1 138.21 44.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.584 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.6 t80 -93.67 123.59 37.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 9.1 t70 -66.05 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 91.24 -9.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.16 -56.17 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.545 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER -115.21 119.93 37.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.18 20.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -8.58 62.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.531 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -106.3 172.85 3.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.581 ' O ' ' CE1' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.05 116.66 4.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -88.16 29.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.966 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.596 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 2.6 t -168.32 93.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.238 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -134.08 -171.07 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.537 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -128.2 69.23 77.71 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -91.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.95 40.73 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.537 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 19.6 mm100 -51.03 -15.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -44.67 -22.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.25 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -35.21 -67.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.9 17.62 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.58 -73.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.49 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 9.0 t -48.67 -35.14 13.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.49 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 t0 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 16.6 mtt180 -90.53 176.35 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.8 t -107.16 20.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.516 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 31.79 87.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.506 ' SG ' ' CE ' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -49.47 -35.32 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.49 61.19 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.57 144.01 28.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 111.04 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -7.78 19.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.585 1.834 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 23.5 m-70 -122.72 14.38 10.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.697 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.527 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -38.83 126.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.32 154.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.475 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 51.51 2.79 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 177.93 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -95.45 -44.19 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.348 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 38.7 m -55.86 -52.98 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 108.375 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -66.3 -5.01 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.5 t-20 -100.14 -32.6 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.91 -22.96 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 0.0 110.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.45 26.22 2.95 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.484 ' CA ' ' O ' ' 1' ' 49' ' ' PHE . 23.7 m -118.73 -178.23 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -126.92 121.54 32.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 60.2 t80 -88.81 119.82 29.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.3 t70 -89.32 -81.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.596 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 85.23 -13.82 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -66.75 -40.91 88.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.42 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 1.2 mt -123.05 109.37 31.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.61 62.68 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.71 -176.17 0.4 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.97 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 27.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 36.3 t -170.42 109.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.83 -171.25 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.621 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.13 14.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.615 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.02 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.69 32.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.4 mm100 -53.58 -21.11 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.452 ' CA ' ' HB ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER -40.1 -26.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.59 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.72 21.95 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' CD ' ' 2' ' 53' ' ' GLN . 1.8 t -108.45 -52.2 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.482 ' HA ' ' NE2' ' 2' ' 53' ' ' GLN . 0.6 OUTLIER -57.71 -29.76 64.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.0 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.4 t0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -48.06 179.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.215 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 23.4 t -113.94 19.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.2 OUTLIER 33.89 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -56.5 -32.91 65.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 108.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.47 56.95 19.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.59 137.28 28.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.11 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.96 21.83 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.445 1.09 . . . . 0.0 109.671 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.545 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -41.31 122.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.53 ' HA ' ' CE2' ' 2' ' 38' ' ' PHE . 0.6 OUTLIER -168.09 151.24 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.502 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 49.96 2.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -95.8 -43.88 7.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 36.0 m -61.42 -56.54 19.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.321 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -63.86 -6.41 5.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -101.84 -29.47 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -85.82 -30.58 22.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.98 22.85 1.51 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.537 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.7 m -119.82 174.65 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.554 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -122.3 126.05 47.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 108.268 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' 2' ' 27' ' ' THR . 13.5 t80 -93.03 125.0 37.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.2 t70 -90.04 -80.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.92 -15.61 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.993 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.33 -59.08 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -109.69 125.77 30.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -14.2 21.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.73 -10.01 65.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.575 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.14 170.0 6.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.22 28.86 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 107.947 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.8 t -171.91 99.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.265 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -133.98 -166.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.535 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.57 65.91 53.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.736 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.91 -99.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.479 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -96.83 40.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.656 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -42.4 -22.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 10.2 mt-10 -37.21 -29.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.72 -60.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.66 22.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.67 -54.12 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.468 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 0.6 OUTLIER -70.78 -38.18 73.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.468 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.594 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 6.1 mtt180 -92.13 -177.1 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 6.0 t -118.64 22.38 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.87 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.07 -34.52 56.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.252 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.93 54.36 38.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 138.43 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.63 17.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -128.73 34.82 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.503 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -55.05 122.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.444 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.6 OUTLIER -166.57 152.08 7.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.57 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.01 55.08 3.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 6.8 ttpt 179.61 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 2.0 mt-10 -94.78 -45.42 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.8 m -63.83 -57.51 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 108.379 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -60.55 -7.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -105.79 -26.74 11.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.512 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.89 -26.07 22.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.511 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 124.63 20.06 2.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 78.0 m -120.86 167.36 12.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -114.82 125.86 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 56.5 t80 -92.12 120.49 32.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.1 t70 -88.09 -81.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.55 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.42 -17.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -55.09 -60.36 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' 1' ' 43' ' ' PRO . 0.1 OUTLIER -111.18 129.18 24.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -75.11 -14.6 20.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.33 67.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.572 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.78 169.01 7.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 113.36 3.78 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.9 27.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.537 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 31.5 t -171.26 103.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.661 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -169.65 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 68.69 29.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.646 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -75.06 -100.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.46 34.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.535 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 34.9 mm-40 -53.24 -19.12 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.423 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -43.13 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.72 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.63 26.03 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 17.9 t -103.49 -67.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 108.219 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.451 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 0.8 OUTLIER -79.99 -25.74 40.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.1 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.566 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 3.4 mtt180 -90.75 -175.14 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.609 1.193 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.3 t -116.63 19.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 34.91 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -51.21 -33.66 28.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.72 53.96 40.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.94 141.19 29.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.97 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.75 36.96 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.5 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.8 OUTLIER -55.66 118.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.566 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER -166.39 154.58 9.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 50.98 2.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -173.75 -24.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -97.37 -44.24 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 7.3 m -65.27 -53.21 47.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 108.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -65.27 -5.4 7.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -105.04 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.83 -32.18 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 128.69 24.66 1.08 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.405 1.065 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.3 m -121.85 166.64 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.487 ' HB2' ' NE2' ' 2' ' 53' ' ' GLN . 2.2 t -114.12 128.49 56.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 108.368 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 44.2 t80 -94.95 116.49 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.57 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.15 -82.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.57 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.26 -23.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.425 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 6.9 mtp180 -65.29 -47.23 77.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.411 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.4 OUTLIER -115.69 110.82 44.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.55 18.19 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.472 1.775 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.03 -2.28 64.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.566 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -119.71 -179.66 0.73 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 117.91 5.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.424 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.4 28.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.582 1.176 . . . . 0.0 108.021 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 27.1 t -169.87 106.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.86 -170.49 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.29 70.52 43.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -97.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.456 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -105.47 44.85 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.487 ' NE2' ' HB2' ' 2' ' 37' ' ' CYS . 35.1 mm-40 -55.22 -14.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 65.2 mt-10 -47.61 -20.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.94 -67.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.39 15.01 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.214 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -59.32 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.464 HG22 ' CA ' ' 2' ' 54' ' ' GLU . 7.3 t -61.29 -33.13 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.9 mtt180 -91.36 172.26 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.1 t -99.37 16.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.491 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 33.56 85.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CD1' ' 1' ' 23' ' ' TYR . 3.8 t -47.17 -38.78 12.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.62 58.4 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.621 ' CD1' ' SG ' ' 1' ' 21' ' ' CYS . 1.5 m-85 -91.17 147.64 36.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.92 13.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.23 14.19 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.573 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -44.69 128.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.98 153.57 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.604 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.08 52.29 3.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.23 -21.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.9 OUTLIER -95.74 -44.16 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.573 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 28.3 m -55.45 -53.75 52.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -65.81 -3.78 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 24.4 t-20 -104.02 -29.0 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -84.33 -26.71 28.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.503 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.77 26.05 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -120.13 179.44 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.557 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.2 t -126.11 122.11 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 46.1 t80 -88.42 123.6 33.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.5 t70 -91.23 -81.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 86.34 -13.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -65.62 -43.02 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.431 ' CG2' HG11 ' 1' ' 45' ' ' VAL . 1.1 mt -121.72 112.1 32.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -5.54 16.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.624 1.855 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -5.42 61.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.155 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.21 -177.88 0.52 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -74.98 116.0 4.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 28.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 45.0 t -171.98 107.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.337 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.34 -168.31 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.629 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.16 68.71 27.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.619 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -101.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.449 1.763 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.574 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -87.38 33.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 45.3 mm-40 -57.62 -19.27 24.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.3 OUTLIER -44.4 -24.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.83 -64.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.78 25.12 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 5.9 t -104.88 -58.06 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 108.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.8 t -69.15 -34.84 75.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.544 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -90.5 170.61 10.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.183 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.8 t -96.88 18.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 29.94 82.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -46.75 -38.02 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 58.52 13.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.97 140.31 26.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 2.1 t-160 -123.52 9.56 9.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.671 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.538 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 2.0 p -35.0 125.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.508 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -168.95 155.68 6.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.508 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.0 47.5 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.3 tttt -179.06 -14.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -101.38 -44.21 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.229 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 69.3 m -58.63 -54.24 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.47 -9.79 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -98.05 -28.21 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.99 -25.27 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.82 23.76 3.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 61.8 m -121.61 170.24 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.7 t -113.78 134.69 54.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -96.42 117.51 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.97 -82.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.359 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.87 -24.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.41 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER -64.21 -43.53 94.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.506 ' CG2' HG12 ' 2' ' 45' ' ' VAL . 0.7 OUTLIER -120.14 106.32 41.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.63 -4.7 63.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.575 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.16 -175.88 0.39 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.575 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.98 120.49 6.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -95.51 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 9.8 t -165.8 106.6 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -146.49 -169.66 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.521 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.41 69.95 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.04 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.577 ' CD2' ' C ' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -97.93 35.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 30.1 mm100 -46.86 -21.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -35.74 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.52 -60.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -141.5 14.31 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.97 -58.05 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.464 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 15.3 t -70.99 -44.31 66.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 20.3 t70 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.604 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 8.0 mtt180 -46.96 175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.0 t -107.12 18.34 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.4 t0 33.38 87.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.45 -36.46 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.67 61.23 6.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.18 142.12 25.86 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 0.77 . . . . 0.0 110.997 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -9.45 20.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.3 OUTLIER -121.46 15.87 11.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.547 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.543 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -39.16 127.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.468 HG23 ' N ' ' 1' ' 28' ' ' PRO . 0.4 OUTLIER -167.58 152.75 6.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 54.52 3.69 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -99.37 -44.49 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.3 m -56.23 -51.52 67.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -68.62 -2.3 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.0 t-20 -105.47 -28.74 10.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.1 -24.3 30.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.88 25.67 2.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.0 m -119.78 -179.31 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.5 t -125.83 126.59 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 45.0 t80 -89.14 121.45 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -84.13 -82.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 84.88 -22.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.419 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 4.4 mtp180 -62.99 -45.23 93.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.449 ' CG2' HG11 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -118.88 110.75 38.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -6.58 18.28 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.91 -2.21 62.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.57 -177.91 0.53 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 0.81 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.09 118.52 5.27 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.504 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.77 27.79 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.4 t -168.96 106.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 108.232 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.643 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.71 -170.65 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.634 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.36 69.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.643 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -96.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.596 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.62 32.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 54.4 mm-40 -58.93 -27.18 65.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' 1' ' 55' ' ' ALA . 8.0 pm0 -42.27 -25.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.84 -62.9 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.13 24.9 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER -103.16 -54.74 2.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.572 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.1 t -89.11 -36.33 15.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 10.7 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.5 mtt180 -92.03 178.97 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.22 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -110.61 21.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 32.09 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.19 -37.67 16.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.74 57.72 15.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -91.18 140.4 25.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 111.054 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -4.39 15.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 14.17 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.493 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -39.89 126.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.562 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER -168.05 155.27 7.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.06 47.64 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -179.83 -17.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -97.93 -45.15 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.5 m -54.54 -55.25 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.3 m-80 -61.44 -13.5 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.213 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.74 -34.76 17.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.21 -26.88 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.247 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.73 25.34 2.61 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.4 m -117.98 171.63 7.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 2.0 t -115.35 131.52 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 51.3 t80 -94.24 117.38 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -78.88 -83.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.78 -22.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 9.1 mtp180 -65.21 -46.6 80.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.464 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.7 OUTLIER -116.58 110.7 42.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.268 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -6.72 18.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.4 -2.31 65.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.415 1.072 . . . . 0.0 110.999 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.565 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.37 -179.49 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.516 ' O ' ' NH1' ' 2' ' 18' ' ' ARG . 18.2 Cg_endo -75.04 117.06 4.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.457 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -88.24 27.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.025 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 8.5 t -168.92 106.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 108.375 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.74 -170.83 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.543 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.36 70.74 63.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.615 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -92.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.426 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -102.76 39.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 20.4 mm100 -51.29 -19.89 1.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 18.7 mt-10 -40.82 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.22 -72.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 22.29 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 3.1 t -98.69 -72.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . . . . . . . . . 14.3 t -54.69 -39.51 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.961 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 15.5 t70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.599 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 6.5 mtt180 -49.06 -179.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 47.0 t -113.05 19.37 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 33.42 90.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.51 -33.14 43.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.8 55.96 27.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.501 1.126 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.84 140.94 26.38 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 -6.65 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -132.87 47.12 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.486 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.3 p -64.24 122.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.417 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER -167.96 153.73 6.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.449 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 56.53 4.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.9 tttp -179.91 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -98.24 -45.8 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.1 m -64.3 -54.86 26.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -64.46 -5.17 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.1 t30 -106.71 -26.75 11.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -84.96 -32.26 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.518 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 130.49 23.05 1.02 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.4 m -120.52 179.81 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.518 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.7 t -125.23 129.0 49.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 45.0 t80 -90.25 122.87 33.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.4 t0 -76.56 -89.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.0 t 90.49 -24.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.956 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.401 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER -71.24 -43.86 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.495 ' CG2' HG12 ' 1' ' 45' ' ' VAL . 0.5 OUTLIER -120.08 104.57 43.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -3.45 13.93 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.97 64.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.624 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.2 m -121.74 -173.85 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.624 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.97 123.86 8.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.541 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -97.01 28.09 3.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 33.6 t -166.06 104.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -172.22 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.635 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.01 69.98 39.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.926 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.586 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -96.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.416 1.745 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.95 30.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.635 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.19 -21.75 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.2 OUTLIER -39.11 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.53 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.453 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.7 tt0 -127.52 24.49 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.0 t -106.42 -51.58 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.342 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.436 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 0.6 OUTLIER -90.85 -29.84 17.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.8 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 8.8 mtt180 -90.05 176.42 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.5 t -107.9 22.17 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 30.43 87.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.2 t -49.0 -33.02 10.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.98 60.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.56 134.95 33.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.8 15.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.428 1.751 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -123.92 25.81 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.511 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -47.5 121.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.521 HG21 ' N ' ' 2' ' 28' ' ' PRO . 0.6 OUTLIER -166.55 151.84 7.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.521 ' N ' HG21 ' 2' ' 27' ' ' THR . 18.0 Cg_endo -75.1 49.28 2.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.585 1.834 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -176.06 -22.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.194 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -95.75 -45.71 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 10.9 m -61.82 -58.57 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' 2' ' 37' ' ' CYS . 0.8 OUTLIER -59.86 -9.71 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' 2' ' 31' ' ' CYS . 19.0 t30 -100.91 -27.8 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.504 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.38 -25.21 21.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.496 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 121.73 22.55 2.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.505 ' CB ' ' SG ' ' 2' ' 48' ' ' CYS . 78.5 m -121.7 163.72 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.588 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -111.22 132.34 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 39.1 t80 -96.74 118.32 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.552 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -77.2 -83.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.552 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 86.88 -23.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.414 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 5.2 mtp85 -66.34 -43.1 87.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.442 ' HB ' HG12 ' 2' ' 45' ' ' VAL . 1.2 mt -121.03 106.29 39.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -5.53 65.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.587 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.45 -175.81 0.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.587 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.36 6.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.459 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.77 28.38 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.9 t -167.06 103.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.61 -168.57 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.22 68.22 36.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.634 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.443 ' O ' ' HG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -92.37 33.15 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.592 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm-40 -51.84 -22.8 4.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -41.58 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.75 -59.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . 0.448 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 45.6 mt-10 -145.79 21.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -98.61 -54.7 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 8.6 t -71.03 -43.07 68.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.7 mtt180 -88.57 174.29 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.2 t -104.59 21.19 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 29.91 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.43 -33.27 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.367 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.22 60.57 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.552 1.158 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -90.75 146.48 34.14 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 111.03 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.52 21.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -127.08 35.4 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.521 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.542 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -57.83 128.34 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.461 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -169.9 155.19 5.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 55.78 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.0 OUTLIER 176.84 -21.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -98.84 -46.38 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 20.8 m -56.0 -50.78 69.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.76 -1.93 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -102.59 -33.39 9.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.597 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.45 -25.19 39.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.97 24.98 2.38 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 30.7 m -116.9 -179.81 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.9 t -126.44 125.63 42.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 57.2 t80 -87.23 121.41 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -84.15 -84.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.51 -22.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.408 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 17.6 mtm180 -64.11 -42.24 96.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.444 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.3 mt -121.22 107.36 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -4.52 15.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.99 -6.01 63.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.593 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -120.96 -175.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.593 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.56 30.81 1.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.485 1.115 . . . . 0.0 108.021 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 22.0 t -171.53 112.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.575 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -149.91 -170.98 3.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 111.073 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.95 72.36 33.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.575 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.09 -97.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.92 32.77 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.5 mm-40 -53.79 -23.93 13.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.479 ' CA ' ' HB ' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -39.1 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -52.06 -87.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -84.62 11.74 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 14.2 t -105.5 -68.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.479 ' HB ' ' CA ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -47.21 -30.23 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.633 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -92.01 179.41 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 31.4 t -108.52 20.05 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.17 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.638 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 5.1 t -52.58 -35.06 53.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 108.313 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.25 57.94 2.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' SG ' ' 2' ' 21' ' ' CYS . 2.9 m-30 -91.56 148.29 37.06 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.562 0.801 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.413 ' HB2' ' NH1' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -123.62 13.38 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.629 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.567 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -43.8 122.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.506 1.129 . . . . 0.0 109.412 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.521 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -165.94 154.15 9.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.396 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 48.93 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 1.9 tttp -179.21 -18.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.236 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.8 OUTLIER -99.35 -44.99 6.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.3 m -55.04 -56.76 16.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -14.0 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.62 -30.88 16.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -84.91 -26.6 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.19 21.42 3.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.142 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 95.5 m -114.06 174.89 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.494 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -121.36 125.71 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 50.4 t80 -91.06 121.55 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.086 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -84.96 -82.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.918 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.59 -24.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.419 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 12.2 mtp180 -63.38 -41.97 98.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.81 107.8 35.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.51 65.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.596 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.21 -175.46 0.35 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.596 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.95 118.87 5.43 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.516 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.68 27.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 107.983 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 36.8 t -171.92 103.45 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.732 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.19 -167.84 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -123.65 65.27 33.31 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.732 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.96 -96.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.575 ' CD1' ' C ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -105.71 28.74 7.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' 2' ' 54' ' ' GLU . 0.0 OUTLIER -45.38 -18.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 12.0 pt-20 -42.23 -23.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.04 -70.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.72 9.85 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.0 t -88.31 -74.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 108.34 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.485 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 2.6 t -41.73 -36.82 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.6 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.4 mtt180 -92.23 -177.08 4.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -114.89 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.43 89.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.26 -33.47 19.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.26 55.78 27.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.4 1.062 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.51 142.07 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.04 -8.91 20.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -131.68 49.86 2.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.501 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -66.09 121.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -168.73 154.02 6.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 57.14 4.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.394 1.734 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.2 tttp -179.16 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -98.02 -46.23 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.14 -54.83 27.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.1 m-80 -64.21 -5.58 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -106.54 -27.09 11.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.498 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.02 -30.5 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.5 22.91 1.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.7 m -120.12 177.15 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.92 128.36 50.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.6 t80 -89.71 120.98 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.3 t0 -75.69 -89.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.3 t 89.61 -22.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -71.24 -45.04 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.438 ' CG2' HG12 ' 1' ' 45' ' ' VAL . 0.3 OUTLIER -119.68 106.95 41.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.92 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.76 -3.2 64.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.6 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.18 -175.56 0.36 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.583 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 122.33 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.531 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -94.03 28.43 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.957 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 31.8 t -167.72 103.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.32 -171.45 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.91 39.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.593 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.03 -99.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.498 1.789 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.18 34.25 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.541 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 40.8 mm-40 -53.22 -21.94 5.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -27.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.68 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.31 25.29 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.6 -71.91 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 10.0 t -59.05 -38.45 79.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' 1' ' 58' ' ' THR . 19.5 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 30.0 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.674 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -45.28 171.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.6 t -105.29 20.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 30.49 86.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -49.36 -36.04 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 108.366 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.26 60.09 9.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.639 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.74 139.01 24.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.54 14.04 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.605 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.514 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.71 127.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.535 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER -167.07 153.81 8.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.458 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 46.98 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -178.95 -15.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -100.15 -45.21 5.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 62.1 m -55.51 -55.39 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -62.21 -12.57 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.639 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.37 -26.23 23.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.86 23.07 3.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.9 m -120.27 173.42 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.9 t -114.63 133.58 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 46.5 t80 -89.12 124.01 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -69.08 -97.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.9 t 94.27 -12.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.403 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 10.7 mtp180 -90.07 -57.55 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.513 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 1.4 mt -107.1 116.37 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.64 21.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -6.24 67.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.592 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.85 171.07 4.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.592 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.432 1.754 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.526 ' HA ' ' CB ' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.19 30.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.63 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 4.8 t -165.9 96.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.677 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.44 -172.91 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.508 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.34 69.31 31.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.677 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -95.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.401 1.738 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -100.87 39.93 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.544 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 25.1 mm100 -49.68 -18.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 3.0 mt-10 -41.77 -25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.88 -68.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.7 mt-10 -137.93 21.85 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.92 -52.76 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 108.217 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 6.5 t -70.75 -31.08 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' NH1' ' CZ ' ' 1' ' 49' ' ' PHE . 3.1 mtt180 -91.4 176.44 6.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 24.3 t -113.69 23.05 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.41 89.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.03 -33.55 18.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.53 57.3 19.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.34 138.15 27.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -5.45 16.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -123.73 18.36 9.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.565 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -39.99 124.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.66 153.41 8.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 53.97 3.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -93.63 -42.65 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 61.0 m -61.18 -56.58 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.485 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -65.53 -3.46 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 19.0 t30 -105.46 -28.04 11.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.53 -29.99 23.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.425 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . . . 127.81 22.67 1.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.8 m -118.95 178.27 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -121.01 129.75 53.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 38.4 t80 -81.78 128.92 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.582 ' CB ' ' HA ' ' 1' ' 47' ' ' TRP . 8.0 t70 -63.52 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.0 OUTLIER 89.92 -7.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -91.14 -60.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.529 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.8 OUTLIER -120.21 130.8 24.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -11.57 21.59 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.89 65.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.563 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -102.35 169.95 6.96 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.387 0.698 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.578 ' O ' ' CE1' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 115.87 4.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.582 ' HA ' ' CB ' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -85.62 30.3 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.1 t -171.14 96.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.45 -174.41 3.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 111.05 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.522 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.17 70.39 42.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.06 -100.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.54 33.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.522 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.6 mm-40 -51.95 -21.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' CA ' HG22 ' 1' ' 58' ' ' THR . 1.0 OUTLIER -41.17 -26.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.43 -72.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -127.29 25.17 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.425 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.4 t -102.61 -61.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.459 HG22 ' CA ' ' 1' ' 54' ' ' GLU . 13.5 t -68.84 -35.55 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' N ' HG23 ' 1' ' 58' ' ' THR . 2.4 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.58 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 8.8 mtt180 -91.09 178.48 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -108.54 18.19 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.365 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 85.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -49.28 -36.75 21.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 108.297 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.89 60.16 8.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -92.13 139.7 24.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.004 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.553 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 1.4 t60 -125.54 13.38 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.513 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.78 127.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.492 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -169.29 155.02 6.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.492 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 47.91 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER -178.72 -16.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.553 ' HG2' ' CD2' ' 2' ' 25' ' ' HIS . 0.4 OUTLIER -100.55 -45.95 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.5 m -55.65 -55.73 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 108.241 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -61.42 -12.33 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -94.78 -29.26 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.238 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.74 -24.62 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.3 22.58 3.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.396 1.06 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.2 m -120.86 167.59 12.36 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.507 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -111.49 134.82 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 47.6 t80 -97.9 116.07 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.545 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.2 OUTLIER -75.63 -84.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.545 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 88.01 -25.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -66.18 -43.2 87.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.41 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER -120.5 105.48 41.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.03 13.32 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.28 -6.67 68.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.546 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.73 -176.88 0.44 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.546 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.02 119.63 5.72 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.448 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.62 28.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.974 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 7.4 t -165.62 101.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -142.26 -169.89 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 111.061 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.3 69.84 31.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.611 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.03 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.407 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -99.71 38.99 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.512 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.0 mm100 -52.04 -17.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.2 pt-20 -43.91 -21.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.27 -66.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -139.04 12.69 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -58.24 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . . . . . . . . . 4.5 t -61.44 -34.03 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.585 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 1.5 mtt180 -91.48 -178.81 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.0 t -112.89 21.28 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.82 89.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.38 -33.33 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.65 56.06 26.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.546 1.153 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.415 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -91.21 140.98 25.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 0.73 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -7.08 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 54.5 1.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.377 1.048 . . . . 0.0 109.629 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.51 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -70.69 124.4 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.432 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -170.2 154.7 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.382 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.27 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 16.8 tttt 179.42 -24.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.4 mp0 -97.66 -47.36 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.2 m -65.36 -54.15 33.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.453 HD22 ' H ' ' 1' ' 38' ' ' PHE . 27.8 m120 -63.47 -6.97 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -106.58 -26.84 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -83.64 -29.41 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 126.2 22.99 1.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 67.2 m -120.08 179.05 4.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -123.66 125.25 44.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.5 t80 -83.52 126.65 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 8.5 t70 -70.43 -98.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.2 t 94.19 -13.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -52.83 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.477 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.4 OUTLIER -115.08 109.12 47.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.96 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.23 -1.61 59.35 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.585 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.88 -176.51 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.564 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.89 121.68 6.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -95.32 28.24 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.552 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 24.8 t -167.91 100.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 108.321 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.71 -171.63 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.75 69.31 35.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.638 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -74.98 -98.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.13 33.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.3 mm-40 -53.89 -18.46 3.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.446 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -43.38 -25.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.56 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.7 t -105.52 -51.19 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.455 ' CB ' ' HB ' ' 2' ' 58' ' ' THR . 1.5 t -78.99 -43.4 24.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' 1' ' 58' ' ' THR . 65.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 10.8 t70 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.673 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.0 mtt180 -44.53 172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.4 t -110.23 22.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 32.1 89.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.643 ' N ' ' HZ3' ' 2' ' 50' ' ' LYS . 1.9 t -51.28 -31.97 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.16 51.18 57.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.409 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -87.56 133.6 37.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.31 22.41 7.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.594 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.596 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -45.0 124.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.516 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.6 OUTLIER -167.05 152.39 7.24 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 48.87 2.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER -178.09 -20.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -96.97 -43.94 7.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.7 m -61.01 -58.01 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 108.353 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.6 m-80 -63.82 -5.17 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 18.9 t30 -103.66 -27.32 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.533 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.78 -26.16 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.493 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 123.2 21.45 2.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.9 m -118.76 168.59 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.485 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 5.3 t -111.94 133.91 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.2 t80 -88.34 126.26 35.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -67.72 -98.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 89.63 -7.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.1 OUTLIER -91.05 -56.13 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.54 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER -120.42 127.07 26.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.65 21.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.95 -8.18 67.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.578 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -103.47 170.29 6.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.443 1.76 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -86.66 29.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.035 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.5 t -171.01 93.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -132.99 -171.81 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.643 ' HZ3' ' N ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -126.23 69.64 67.93 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.663 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -97.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.584 1.833 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -96.49 33.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.563 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -46.37 -22.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.83 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.41 -66.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.44 15.86 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.551 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -96.46 -86.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 -179.924 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' 1' ' 58' ' ' THR . 0.8 OUTLIER -37.32 -32.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 6.9 mtt180 -91.44 176.26 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.5 t -105.71 20.73 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.75 86.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.02 -35.66 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.92 62.93 2.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.612 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.69 149.87 39.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.95 21.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.06 18.77 10.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.57 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.7 p -44.99 121.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.45 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -163.1 154.89 15.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 110.441 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.85 55.59 3.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.56 -21.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -99.65 -43.59 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.4 m -56.42 -52.32 65.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -68.55 -2.27 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 20.6 t30 -104.92 -29.04 10.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.35 -24.69 29.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.486 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.64 24.36 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.0 m -117.83 179.63 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.21 126.13 44.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 45.5 t80 -88.94 121.32 31.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.533 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.81 -84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.533 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.83 -23.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 0.6 OUTLIER -64.96 -43.86 91.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.938 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.64 106.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.43 -6.4 66.22 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.573 ' CB ' ' CD ' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -121.64 -175.42 0.35 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 0.71 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.5 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.32 28.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 19.6 t -169.48 108.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.63 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.55 -170.38 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.923 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.619 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.07 69.77 29.31 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -99.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -89.89 32.55 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.619 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm100 -54.38 -20.85 8.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 3.6 pt-20 -41.53 -26.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.2 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.32 25.33 7.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 5.0 t -105.99 -55.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.9 OUTLIER -90.27 -31.03 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.916 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.537 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 12.4 mtt180 -87.41 173.82 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 51.2 t -103.41 19.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 30.56 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.47 -34.49 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.54 59.35 6.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -91.21 144.15 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.086 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.7 Cg_endo -74.89 -3.89 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.408 1.741 . . . . 0.0 111.048 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.4 OUTLIER -124.07 11.37 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.532 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.498 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.93 121.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.531 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.09 158.96 10.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.531 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.05 48.96 2.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER 179.21 -16.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.9 OUTLIER -98.67 -45.74 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 93.2 m -54.82 -56.43 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -61.88 -11.33 12.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.405 ' O ' ' OH ' ' 1' ' 23' ' ' TYR . 7.5 t30 -90.14 -35.83 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.7 -25.58 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.2 26.64 2.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 49.1 m -119.62 169.6 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.5 t -113.57 133.15 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 54.1 t80 -95.61 116.62 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.44 -84.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.29 -23.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.406 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 10.2 mtp180 -65.68 -41.54 92.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.47 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.3 mt -120.72 106.88 39.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.1 -6.0 65.36 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.587 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.1 m -120.65 -176.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.587 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 120.11 5.92 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.495 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.9 28.12 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 9.0 t -167.45 110.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 108.336 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.596 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -150.15 -171.06 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.44 72.32 38.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -96.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.48 39.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.501 ' NE2' ' HD2' ' 2' ' 51' ' ' PRO . 31.6 mm-40 -51.94 -19.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -41.99 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.17 -65.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -143.81 20.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -100.12 -55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.449 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 4.5 t -66.39 -44.03 84.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.416 ' N ' HG21 ' 2' ' 58' ' ' THR . 6.4 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.62 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.5 mtt180 -89.85 172.21 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.1 t -101.68 18.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.85 87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.221 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -49.59 -37.11 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.273 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.38 63.11 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.47 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 110.974 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.06 19.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.9 OUTLIER -124.23 16.59 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.633 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.518 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -39.05 127.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.35 153.75 7.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.377 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.582 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -179.91 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -95.91 -44.79 7.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 31.2 m -56.31 -51.1 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.303 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -68.91 -1.24 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 48.6 t30 -106.32 -29.44 9.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.607 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.1 -24.36 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.16 26.35 2.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 13.7 m -119.95 -177.99 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.1 t -128.31 125.11 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 108.333 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.5 t80 -88.95 119.49 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.4 t70 -89.28 -82.62 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.598 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 86.69 -16.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.975 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.52 -42.76 99.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.48 ' CG2' HG12 ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.9 110.05 33.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.09 -6.33 63.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.71 -176.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.12 117.39 4.87 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.88 27.65 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.963 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 42.1 t -169.01 109.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.626 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.96 -170.82 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.603 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -118.6 71.58 9.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.626 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.0 -97.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.65 33.04 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.02 -25.4 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -36.39 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.91 -64.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.29 14.03 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' 1' ' 53' ' ' GLN . 0.5 OUTLIER -94.0 -88.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.357 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.404 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.9 t -41.02 -43.83 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' 1' ' 58' ' ' THR . 31.2 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.567 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 6.4 mtt180 -91.06 176.78 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 24.5 t -106.55 20.92 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 30.25 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.61 -35.99 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.92 59.21 8.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.55 140.79 25.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -4.83 15.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -123.63 12.99 9.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.619 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.504 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -38.56 125.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.429 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.3 OUTLIER -165.03 155.55 12.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 47.2 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.439 1.757 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 2.8 tttt -179.49 -20.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.13 -45.22 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.225 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.0 m -54.67 -56.32 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.3 m-80 -60.13 -14.17 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -90.21 -32.5 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.45 -25.1 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.462 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.76 23.88 3.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.9 m -118.92 173.92 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.53 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.9 t -117.62 130.94 56.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.2 t80 -94.55 119.88 33.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.574 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.89 -83.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.574 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.33 -24.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 13.6 mtp180 -64.12 -43.89 93.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.421 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 1.1 mt -120.45 106.59 40.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.91 13.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.17 -7.21 65.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.564 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.34 -176.35 0.41 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.564 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 118.89 5.43 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.505 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.29 28.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 11.5 t -167.45 105.22 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.45 -169.61 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.89 69.81 37.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.621 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -75.0 -99.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.3 OUTLIER -92.64 34.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 27.2 mm100 -50.55 -19.37 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -39.61 -26.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.43 -60.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -142.93 17.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.3 OUTLIER -95.99 -51.42 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 4.7 t -67.76 -45.53 74.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.192 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 37.0 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.653 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -48.21 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -111.19 21.84 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.41 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.637 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.4 t -46.53 -36.23 6.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.58 60.6 8.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.81 138.72 24.79 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.45 0.735 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -122.82 15.55 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.554 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -38.67 129.41 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.478 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.5 OUTLIER -168.78 152.15 5.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.427 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 53.59 3.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 tptt 176.7 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -99.99 -45.05 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.6 m -56.06 -52.8 62.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.484 1.115 . . . . 0.0 108.316 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -67.26 -4.31 10.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 33.3 t-20 -105.17 -25.47 12.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.631 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.1 23.61 2.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 58.4 m -120.55 -175.98 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.2 t -126.5 128.09 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 41.0 t80 -82.01 128.87 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 7.7 t70 -71.28 -98.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.2 t 91.89 -9.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.157 . . . . 0.0 110.057 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.416 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 5.3 mtp180 -90.32 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.513 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.8 OUTLIER -116.84 122.09 31.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -11.96 21.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.36 65.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.588 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -104.65 170.32 6.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.613 ' O ' ' CE1' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.568 ' HA ' ' CB ' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.74 29.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.637 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.3 t -166.57 94.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.04 -176.74 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.574 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.46 71.36 13.18 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.602 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -75.01 -97.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.574 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.8 mm100 -52.13 -21.77 3.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.2 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.234 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.96 -67.93 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -133.38 24.21 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 2.5 t -105.78 -49.25 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.9 t -82.34 -45.66 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' 1' ' 58' ' ' THR . 60.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.8 mtt180 -91.05 172.03 8.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.2 t -98.38 17.2 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.5 t0 32.26 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 0.5 OUTLIER -49.39 -36.03 20.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 179.926 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.34 59.62 0.79 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.621 ' CE1' ' SG ' ' 2' ' 21' ' ' CYS . 1.8 m-85 -90.6 158.85 42.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.596 0.821 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -11.18 21.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.441 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 0.1 OUTLIER -116.58 5.99 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.551 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' 2' ' 23' ' ' TYR . 2.3 p -39.69 112.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.51 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -166.39 164.23 10.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.51 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.8 2.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER 179.73 -19.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.441 ' HG2' ' CD2' ' 2' ' 25' ' ' HIS . 0.6 OUTLIER -98.17 -44.75 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 95.6 m -54.42 -56.7 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.27 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -9.52 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.26 -37.44 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.47 ' HD3' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.75 -28.54 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.512 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 120.41 27.41 1.99 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 67.6 m -112.51 173.07 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.6 t -117.6 125.02 50.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 78.7 t80 -92.79 119.17 31.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.9 t70 -87.4 -83.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 88.22 -15.74 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -64.77 -40.77 95.81 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.419 ' HB ' HG12 ' 2' ' 45' ' ' VAL . 0.8 OUTLIER -122.07 109.62 33.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.38 16.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.3 -6.81 62.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.616 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.4 m -120.96 -177.96 0.54 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.616 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.46 29.4 1.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 25.3 t -170.21 111.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -149.91 -168.01 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.79 70.6 48.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.641 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.88 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.7 36.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 109.261 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.564 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.2 mm100 -51.77 -19.56 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 11.9 pt-20 -41.44 -23.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.51 -60.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.38 17.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -95.94 -51.46 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.9 t -70.86 -33.46 70.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 5.4 mtt180 -92.08 173.12 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.3 20.79 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.45 86.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.558 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -46.94 -34.08 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.354 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.6 60.87 5.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.646 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.34 143.44 27.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -7.74 19.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.24 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.526 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -40.03 125.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.483 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -168.08 155.47 7.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 54.02 3.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.512 1.796 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 109.345 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -99.15 -44.62 6.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.2 m -55.51 -52.45 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.397 1.061 . . . . 0.0 108.246 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.43 -2.38 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -101.68 -32.54 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.646 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.04 -23.97 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.41 25.22 2.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -116.62 178.99 4.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -124.15 125.65 44.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 57.9 t80 -90.11 121.84 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.5 t70 -89.88 -82.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.9 OUTLIER 89.87 -20.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.409 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 7.1 mtp180 -51.68 -55.91 16.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.65 126.57 27.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.29 21.44 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.66 -8.14 62.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.572 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.82 169.4 6.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 0.746 . . . . 0.0 109.313 -179.929 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.543 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.08 110.35 3.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.89 30.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.2 t -168.56 102.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 108.334 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -144.83 -172.06 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 111.048 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.35 71.97 26.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.65 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -98.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.436 1.756 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.74 32.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.567 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.6 mm-40 -51.4 -19.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.212 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.09 -27.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.56 -74.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.21 24.14 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.2 t -105.54 -53.07 2.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.235 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.447 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -82.8 -33.41 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.472 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 50.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.679 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.4 mtt180 -89.13 -179.99 6.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.5 t -112.09 19.84 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.41 90.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.92 -33.33 56.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.44 50.85 58.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.09 138.26 39.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -7.12 18.84 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -121.41 19.27 11.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.639 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.542 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -38.41 118.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.492 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER -166.75 151.63 7.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.492 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.11 50.12 2.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.579 1.831 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -174.83 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -96.65 -43.21 7.66 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.7 m -61.96 -56.1 22.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.9 m-80 -64.6 -5.28 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -102.97 -29.41 11.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.472 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.49 -32.63 19.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.541 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 130.69 22.4 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.6 m -123.1 161.67 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.565 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 34.3 t80 -89.38 120.58 30.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -80.02 -84.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.15 -22.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -67.39 -41.04 85.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.475 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.3 mt -120.76 106.72 39.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.89 16.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.85 65.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.597 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.7 -175.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.597 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.42 26.47 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 17.2 t -169.84 101.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.67 -168.51 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 67.54 60.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.693 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.94 -97.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -95.23 36.35 1.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 23.1 mm100 -44.58 -23.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -36.5 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.09 -64.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.63 13.62 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.476 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.51 -56.63 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.475 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 13.7 t -69.99 -41.14 74.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.442 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.475 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.594 1.184 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.82 170.63 9.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.196 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 89.3 t -99.6 18.48 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 31.8 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.55 -34.12 48.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.254 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.18 60.22 2.0 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.659 ' CE2' ' HD3' ' 1' ' 34' ' ' ARG . 1.2 m-85 -91.92 156.55 42.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.791 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 1.3 m170 -109.81 9.78 24.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.618 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.575 ' HA ' ' NH2' ' 1' ' 34' ' ' ARG . 2.1 p -38.2 114.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -166.76 155.33 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.607 ' HB3' ' CD1' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 55.19 3.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.75 -24.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' 1' ' 33' ' ' ASN . 0.7 OUTLIER -97.05 -40.6 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.6 m -61.39 -54.45 43.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.355 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m-80 -70.52 4.15 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.466 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 26.2 t30 -107.35 -32.04 7.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.659 ' HD3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -88.66 -33.15 17.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 133.89 24.17 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' 1' ' 34' ' ' ARG . 60.8 m -116.6 166.81 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.527 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 1.9 t -116.3 123.38 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' 1' ' 28' ' ' PRO . 36.1 t80 -93.22 121.27 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.6 t70 -86.55 -82.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 87.94 -16.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -63.28 -42.84 99.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.411 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.8 OUTLIER -121.78 111.82 32.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.42 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.624 1.855 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.47 -6.3 61.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.627 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.4 m -120.04 -178.05 0.53 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.627 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 115.99 4.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.403 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.14 28.5 1.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 108.016 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 38.8 t -171.44 110.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.0 -169.07 3.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.534 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.15 70.51 21.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.633 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -101.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.94 35.49 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.534 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm-40 -55.0 -26.43 36.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.282 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -38.9 -29.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.93 -62.01 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.27 15.7 7.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -91.34 -81.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.503 ' CB ' ' HG3' ' 2' ' 54' ' ' GLU . 1.1 t -53.85 -34.22 58.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 44.4 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 16.8 mtt180 -91.09 169.4 10.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.5 t -95.31 15.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.389 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 34.63 80.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.698 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 5.6 t -44.31 -39.58 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.15 61.4 2.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.698 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -91.55 153.28 44.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -5.62 17.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -124.54 8.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.549 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.473 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -38.17 116.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.493 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -167.98 162.57 9.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.43 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.493 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.04 49.47 2.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.1 OUTLIER -179.28 -18.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.148 . . . . 0.0 109.362 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.416 ' HB2' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -99.13 -44.83 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.9 m -56.36 -57.48 12.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 108.278 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.32 -13.14 11.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.221 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.5 t30 -89.62 -34.17 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.432 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.25 -25.87 29.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 116.86 25.02 3.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.535 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 84.6 m -115.43 170.07 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.3 t -114.58 128.33 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.323 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 73.0 t80 -94.62 117.36 30.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.9 t70 -84.47 -82.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.549 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 2.1 t 88.03 -15.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -42.67 96.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.422 ' HB ' HG12 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -121.96 110.98 32.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.84 17.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.572 1.827 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.42 -5.96 64.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.567 1.167 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.617 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.5 m -121.34 -178.54 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.617 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.9 117.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.58 1.832 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.44 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -92.65 29.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 107.949 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.626 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 22.1 t -169.99 106.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 108.333 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -147.54 -168.56 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -119.7 70.13 13.11 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.687 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.04 -96.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.431 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.47 41.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.538 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 19.5 mm100 -49.14 -18.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.36 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' HG3' ' CB ' ' 1' ' 58' ' ' THR . 8.4 mt-10 -43.34 -23.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -39.61 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -113.9 13.78 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -91.57 -68.99 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.472 HG22 ' N ' ' 2' ' 59' ' ' PHE . 15.0 t -53.08 -31.25 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.472 ' N ' HG22 ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -50.38 174.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.84 18.3 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.9 OUTLIER 34.73 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.47 -32.63 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.89 59.2 4.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.673 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -90.87 143.52 28.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 18.6 Cg_endo -74.94 -8.99 20.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -120.3 15.39 12.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.622 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.545 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -41.53 126.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.477 HG23 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -166.94 153.73 8.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 53.13 3.26 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.46 -17.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -101.11 -44.98 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 48.3 m -55.68 -51.26 67.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -69.15 -2.14 9.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -105.02 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.673 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.41 -24.28 29.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.26 24.87 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.514 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -119.12 -179.61 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -125.69 125.49 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 59.0 t80 -92.41 120.22 32.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.7 t70 -89.31 -81.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.02 -17.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.658 1.224 . . . . 0.0 109.962 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.54 -45.29 94.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -119.04 118.81 32.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.22 21.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.69 -10.15 63.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.544 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -109.16 173.0 3.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.517 0.775 . . . . 0.0 109.244 -179.923 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.544 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.51 29.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 108.024 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 19.3 t -169.35 106.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.46 -170.54 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 71.69 23.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.05 -96.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.09 32.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.0 mm100 -51.77 -20.57 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 2.2 tm-20 -39.02 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.17 -65.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.03 25.83 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -63.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.322 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.462 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -66.92 -42.26 85.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.462 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 11.4 t70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.685 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 14.7 mtt180 -47.9 178.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' 2' ' 20' ' ' ASP . 23.4 t -115.29 21.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.15 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.555 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 56.53 23.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.424 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.55 141.25 27.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.39 21.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.532 1.806 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.45 31.43 5.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.523 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.1 p -51.43 120.01 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.445 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -168.72 154.97 6.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.445 ' N ' HG22 ' 2' ' 27' ' ' THR . 18.0 Cg_endo -75.03 50.8 2.63 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.26 -22.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -99.04 -45.6 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 12.6 m -62.95 -54.31 40.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.96 -4.65 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -104.3 -29.4 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.461 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.14 -34.01 19.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 130.52 26.48 0.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.5 m -120.8 170.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.492 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.2 t -117.74 127.31 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.362 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.6 t80 -98.55 117.33 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.3 t70 -84.66 -80.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 87.97 -18.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -58.27 -50.73 72.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -116.66 124.39 29.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -14.76 21.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.0 67.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.563 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.21 169.96 6.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.563 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.05 115.81 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.427 ' O ' ' CD1' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -88.01 28.51 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 108.036 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 19.3 t -171.03 102.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.355 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.685 ' CD2' ' HG2' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -139.84 -172.98 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.945 -179.908 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -120.87 68.48 16.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.98 -109.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.761 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.607 ' CD2' ' O ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.13 38.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 39.6 mm-40 -50.6 -20.88 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -40.85 -23.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.61 -66.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -140.24 15.57 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.43 -56.94 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.454 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 6.4 t -66.37 -42.28 88.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.9 mtt180 -49.04 175.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 84.2 t -108.06 17.89 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 34.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.06 -36.58 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.275 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.01 61.65 5.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.622 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.46 141.28 24.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.933 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.75 14.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 17.91 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.54 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -41.75 128.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.88 153.68 8.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 52.4 3.04 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.92 -20.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -96.6 -44.08 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.341 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.54 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.9 m -56.47 -51.3 68.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 0.0 108.252 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -68.75 -2.77 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.7 t-20 -104.53 -28.62 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.11 -24.84 30.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.4 25.12 2.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 28.2 m -120.49 -179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -125.57 125.27 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 108.282 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.7 t80 -91.38 121.36 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 18.7 t70 -90.32 -82.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -17.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.65 119.0 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.421 1.748 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.62 -9.84 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.538 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER -109.59 172.93 3.23 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -88.88 30.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 107.977 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.2 t -169.85 103.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -144.73 -170.95 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.94 70.38 14.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.78 32.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.4 mm-40 -54.74 -20.78 9.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.8 -26.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.16 -70.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -128.36 23.93 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.5 t -104.23 -55.28 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.424 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.1 t -86.54 -37.62 18.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 52.9 t0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.684 ' NH1' ' CZ ' ' 2' ' 49' ' ' PHE . 6.2 mtt180 -91.09 177.89 6.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 17.5 t -112.97 24.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.092 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.91 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.8 t -48.77 -34.86 13.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 57.02 21.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -90.13 138.1 27.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.09 -4.87 16.02 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.493 1.786 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 19.95 9.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.571 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -41.79 122.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.474 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -169.08 154.8 6.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.592 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 48.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttp -176.22 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 1.2 mp0 -99.92 -43.99 6.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 80.6 m -61.75 -57.17 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.336 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.56 -3.32 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -103.63 -29.68 10.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.478 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.86 -31.99 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 129.01 24.56 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.1 m -120.6 169.47 10.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.52 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -111.87 133.69 53.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.271 -179.925 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.5 t80 -88.62 124.24 33.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -61.52 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 2.0 t 90.46 -8.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -91.41 -58.09 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.54 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER -119.63 125.99 27.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.22 19.96 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.07 -7.71 60.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.532 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -103.76 172.51 4.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.532 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.541 ' HA ' ' CB ' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -86.96 31.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 108.045 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.2 t -173.72 96.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.203 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.702 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -135.85 -175.97 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.75 69.5 35.51 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.697 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.95 -100.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.576 ' CD2' ' O ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -99.6 36.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 37.4 mm-40 -47.26 -22.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.2 OUTLIER -35.8 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.49 -61.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 15.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.484 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -89.93 -58.52 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.431 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 6.8 t -71.16 -36.51 72.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.573 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 4.8 mtt180 -92.18 175.06 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -107.99 20.72 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.78 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -53.24 -34.5 57.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.382 1.051 . . . . 0.0 108.291 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.69 54.62 35.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.22 139.37 27.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.949 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.93 -6.85 18.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -128.6 37.83 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.528 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -56.15 120.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.41 HG23 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.1 152.97 6.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.05 58.58 4.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.4 ttmt 178.92 -25.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.5 mt-10 -98.62 -45.62 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -63.4 -54.86 30.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -64.9 -5.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -106.11 -27.26 11.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.62 -30.18 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.431 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.99 23.33 1.31 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.506 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 64.3 m -120.28 177.25 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.546 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -123.36 127.81 49.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.203 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 47.1 t80 -91.58 120.52 32.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.585 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -81.95 -83.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 85.03 -23.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.932 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.408 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 5.2 mtp180 -64.58 -43.42 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.476 HG23 ' CG1' ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.01 109.85 35.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.082 . . . . 0.0 109.251 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.53 -3.45 62.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.58 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.47 -176.99 0.43 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.58 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.24 5.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.562 1.822 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.468 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.12 25.97 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 37.1 t -168.62 104.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.266 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.6 -171.16 3.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.19 69.33 29.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.631 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.04 -104.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.442 1.759 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -86.48 31.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 35.1 mm-40 -51.73 -18.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -41.57 -25.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.91 -67.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -131.24 23.65 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 t -103.82 -53.51 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.428 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.0 t -68.35 -42.7 78.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.64 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 2.9 mtt180 -92.15 176.37 6.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 47.2 t -108.36 18.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 34.02 89.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.88 -33.36 61.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.18 56.92 18.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.413 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.45 141.6 27.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 111.016 179.923 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.08 19.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.58 32.11 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.495 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.3 p -51.91 117.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.458 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -167.31 155.6 8.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.452 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.02 50.8 2.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -174.38 -23.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -98.1 -45.98 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.325 179.927 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.8 m -63.31 -56.84 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 108.31 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -62.68 -6.71 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 19.8 t30 -103.72 -27.75 12.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.2 -25.88 21.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.501 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.67 22.56 2.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.0 m -120.3 166.57 13.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.8 t -114.64 126.29 54.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 52.3 t80 -92.31 119.97 32.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.8 t70 -85.3 -82.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.547 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 85.33 -13.04 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -44.31 80.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.451 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 1.1 mt -122.51 111.28 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.29 15.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.458 1.767 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.6 -6.39 64.11 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.591 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -122.13 -176.46 0.42 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.21 28.13 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 48.9 t -169.2 110.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' CD2' ' HG2' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -147.22 -167.71 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.538 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.3 70.16 42.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.629 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.97 -94.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -98.91 38.17 1.42 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.538 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -50.78 -19.52 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.8 OUTLIER -41.35 -24.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -27.96 -72.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -135.02 10.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.1 -59.04 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.426 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 14.5 t -48.77 -40.98 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 51' ' ' PRO . 5.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.608 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.9 mtt180 -92.11 -178.36 4.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -112.82 21.82 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.33 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -50.19 -33.51 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.247 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.74 54.01 37.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.578 1.174 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -88.88 137.88 29.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -4.96 16.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -129.4 37.89 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.538 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -56.94 123.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.456 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.5 OUTLIER -167.49 150.95 5.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 55.19 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.827 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 10.9 tttt 179.54 -23.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -97.36 -45.35 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.4 m -63.12 -56.38 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.238 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.506 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -63.29 -6.26 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -106.34 -24.99 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.544 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.0 -27.82 21.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 125.75 23.18 1.7 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 83.5 m -120.39 178.16 4.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 12.0 t -123.85 127.67 48.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 40.7 t80 -87.93 124.44 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 36.6 t0 -79.24 -88.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.3 t 87.61 -24.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.405 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 18.4 mtp180 -71.77 -44.42 64.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.204 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.459 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -120.2 105.92 41.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.55 15.57 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.72 64.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.608 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.2 -175.72 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.579 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 121.34 6.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.523 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -93.98 28.09 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 23.7 t -166.49 101.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.15 -170.14 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.616 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 67.14 39.67 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -94.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.626 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.0 OUTLIER -88.68 26.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.616 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 71.9 mm-40 -57.41 -26.28 60.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.5 pp20? -40.29 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' 1' ' 59' ' ' PHE . . . -46.64 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -97.92 20.17 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 6.2 t -106.9 -62.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.494 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -92.45 -4.65 53.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' 1' ' 55' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 20.4 mtt180 -91.31 179.77 5.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.469 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 25.5 t -108.11 16.79 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.494 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.81 84.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.651 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 3.2 t -49.15 -36.63 19.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.31 61.0 3.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.651 ' CE2' ' SG ' ' 2' ' 21' ' ' CYS . 0.2 OUTLIER -91.2 148.67 38.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.3 m-70 -126.47 12.25 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.505 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -39.13 115.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.479 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -164.42 160.11 15.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.479 ' N ' HG22 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.03 48.46 2.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 15.7 tttt -177.74 -16.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.413 ' HB2' HG21 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -101.11 -44.24 5.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.23 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 83.1 m -57.87 -56.33 23.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 108.209 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.31 -12.56 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.469 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 36.0 t-20 -93.72 -29.61 15.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.458 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.06 -26.08 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.483 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.66 26.81 2.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.6 m -122.57 166.1 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.501 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -112.32 122.02 46.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 108.277 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 52.5 t80 -87.24 122.63 31.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.0 t70 -89.99 -81.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.61 1.194 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.18 -14.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -66.05 -41.38 90.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.427 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -122.84 110.62 31.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -5.3 16.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -8.02 65.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.62 -177.26 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.371 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 117.5 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.544 ' O ' ' CD1' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.04 27.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 35.1 t -171.43 101.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.64 -167.22 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 67.77 19.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.691 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -96.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.555 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -95.19 42.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.553 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.6 mm100 -59.57 -21.61 60.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 45.8 mt-10 -48.67 -22.41 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.22 -59.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 14.7 mt-10 -152.02 22.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -105.07 -65.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 108.288 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 0.8 OUTLIER -56.78 -52.34 65.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.543 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.72 170.53 10.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 45.6 t -96.59 18.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.69 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.28 -35.85 28.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.63 62.3 4.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -90.64 144.0 29.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.97 21.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -122.93 18.51 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.531 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.3 127.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.508 HG23 ' N ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER -164.55 151.24 9.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.442 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 52.55 3.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.06 -20.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.612 1.195 . . . . 0.0 109.318 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -97.8 -43.69 7.04 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.9 m -55.99 -52.06 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -66.86 -6.12 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -102.71 -26.69 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.604 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.77 -23.32 29.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.44 25.16 2.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.506 ' CA ' ' O ' ' 1' ' 49' ' ' PHE . 38.6 m -120.71 -177.05 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.585 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -128.19 126.23 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.249 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.28 121.57 30.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.24 -82.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.4 OUTLIER 85.47 -23.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.433 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 4.1 mtp180 -62.27 -44.42 96.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.502 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -119.79 107.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.5 1.789 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.92 -3.98 61.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.562 ' CB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -122.01 -175.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.1 118.38 5.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.565 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -92.71 30.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.055 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.3 t -168.83 108.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.374 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.603 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.25 -170.45 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.48 70.01 23.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.98 -100.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.55 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -90.14 33.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.564 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.3 mm-40 -56.21 -23.85 38.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.26 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.96 -78.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.01 24.32 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 6.7 t -105.36 -60.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.186 . . . . 0.0 108.269 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.451 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.1 t -63.42 -29.21 70.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.3 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 19.4 mtt180 -90.26 -178.3 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 47.1 t -110.14 18.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 33.34 84.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 5.3 t -49.61 -37.22 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 108.243 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.04 61.58 3.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.63 ' CE2' ' SG ' ' 2' ' 21' ' ' CYS . 0.2 OUTLIER -91.27 149.38 39.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 0.794 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -7.03 18.74 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -123.63 12.59 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.616 179.902 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.507 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -38.11 115.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.516 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -161.68 157.23 20.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.475 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.516 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 48.56 2.03 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.59 1.837 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 4.5 tttt -178.44 -17.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.207 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -99.55 -43.53 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 96.1 m -56.98 -55.86 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.07 -10.34 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -95.02 -31.71 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.46 ' HB2' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -85.45 -27.81 25.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.542 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 121.5 26.53 1.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 82.6 m -123.22 164.32 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.545 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -111.45 122.74 48.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 34.0 t80 -85.35 123.03 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.587 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.75 -82.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -64.05 -44.32 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.442 ' CG2' HG11 ' 2' ' 45' ' ' VAL . 0.5 OUTLIER -117.37 109.3 42.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.8 17.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.781 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.43 -3.97 62.72 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -121.16 -177.57 0.5 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.16 4.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.534 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.84 27.91 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 107.991 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.7 t -171.18 101.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.696 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.82 -167.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.16 66.93 43.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.693 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.05 -96.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.422 1.749 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -96.06 42.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.544 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.7 mm100 -57.07 -16.98 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -48.14 -19.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.78 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.77 10.9 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 1.3 t -86.61 -61.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.429 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 11.8 t -49.56 -38.62 31.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 110.952 -179.975 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.9 mtt180 -91.38 171.69 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 48.6 t -98.69 17.27 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 32.97 85.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.73 -36.91 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.05 62.78 2.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.56 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.7 OUTLIER -91.64 156.32 43.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.23 20.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -132.58 53.43 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.502 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 0.9 OUTLIER -74.65 125.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.431 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.4 OUTLIER -165.29 157.22 13.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.04 55.61 4.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.13 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.52 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 1.1 mp0 -99.76 -48.8 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.3 m -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -66.98 -4.53 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 48.6 t-20 -104.75 -27.16 11.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.56 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.85 -25.08 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 -179.939 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.06 26.21 2.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.8 m -120.91 -177.84 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -129.53 122.16 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 108.276 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 54.8 t80 -87.93 123.55 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.5 t70 -90.39 -84.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 89.6 -15.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.936 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -64.28 -43.46 94.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.435 ' CG2' HG11 ' 1' ' 45' ' ' VAL . 1.1 mt -121.77 109.39 34.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.86 -6.24 62.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.57 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -122.14 -175.61 0.37 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.261 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.57 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 117.38 4.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -92.48 30.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 51.8 t -171.62 110.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -146.65 -168.34 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.613 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.55 69.26 15.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.05 -100.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.564 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -88.28 31.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.613 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.0 mm100 -53.33 -24.36 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.7 OUTLIER -38.0 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.2 -55.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -139.78 21.03 2.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 0.6 OUTLIER -96.6 -74.65 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -61.61 -41.71 97.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.539 ' O ' ' CG ' ' 1' ' 59' ' ' PHE . 70.4 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.592 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.3 mtt180 -93.12 174.54 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 20.8 t -103.72 17.4 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.4 t0 34.67 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -50.9 -36.92 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 108.324 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.15 59.56 9.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.618 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.15 140.6 25.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.22 13.73 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.592 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.527 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -39.13 125.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.425 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.3 OUTLIER -165.43 154.85 11.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.571 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.88 47.25 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.6 tttp -179.55 -19.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -95.62 -44.5 7.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.9 m -55.63 -55.69 29.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.332 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.6 m-80 -61.35 -12.39 13.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.4 t30 -93.0 -30.28 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.618 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.81 -25.85 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.64 24.48 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.1 m -121.13 168.64 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.516 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -114.8 128.69 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 49.2 t80 -93.55 119.36 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 32.2 t70 -83.24 -81.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.73 -14.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.07 -45.95 79.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.059 . . . . 0.0 110.34 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.05 113.52 32.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -5.0 16.24 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.71 61.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.518 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.94 179.96 0.84 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 114.89 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.41 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -90.97 30.27 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 108.009 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.2 t -169.93 105.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.66 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.62 -167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 1.188 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.79 68.96 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.66 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -93.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.407 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.37 40.05 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.527 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 24.0 mm100 -50.29 -20.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -40.29 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.317 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.31 -68.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.27 9.54 3.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.8 -53.0 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 108.262 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.417 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 4.1 t -73.08 -32.42 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 -179.963 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.6 mtt180 -50.57 -178.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 38.5 t -113.37 20.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 32.54 88.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -50.16 -34.97 24.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 108.28 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.73 59.46 6.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.617 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.05 143.48 28.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.972 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -8.88 20.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 35.4 m170 -119.76 13.03 12.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.532 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -37.87 125.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.507 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -167.73 154.82 7.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.389 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 53.17 3.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.66 -19.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -99.08 -43.95 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 59.9 m -56.13 -52.35 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.68 -1.98 8.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 18.2 t-20 -101.81 -33.36 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.617 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.64 -24.61 36.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.32 24.39 2.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.3 m -115.53 179.19 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.3 t -123.95 125.73 45.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 108.306 -179.921 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -89.32 120.03 30.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.563 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -83.15 -83.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 3.6 mtp85 -64.45 -44.52 90.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.2 107.82 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.439 1.757 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.73 -6.32 65.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.562 ' CB ' ' CD ' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -121.27 -175.57 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 119.41 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.45 27.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 108.072 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 14.9 t -167.99 109.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.66 -171.97 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.87 71.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.614 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.96 -99.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.66 33.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.59 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.5 mm-40 -53.53 -18.46 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.0 -25.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.6 -69.44 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -127.62 22.24 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.0 t -99.75 -73.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.422 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -50.53 -29.28 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.1 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.614 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 14.4 mtt180 -92.44 170.34 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.1 t -92.8 13.31 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.481 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 1.4 t0 35.01 80.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.689 ' SG ' ' CD1' ' 2' ' 23' ' ' TYR . 2.2 t -47.84 -37.68 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 108.342 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.82 60.79 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.689 ' CD1' ' SG ' ' 2' ' 21' ' ' CYS . 1.2 m-85 -93.06 157.69 38.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -12.79 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.499 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 0.8 OUTLIER -115.4 5.05 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.5 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 2.3 p -38.02 115.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.467 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -165.26 161.53 14.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.491 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 49.96 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.99 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.499 ' HG2' ' CD2' ' 2' ' 25' ' ' HIS . 0.4 OUTLIER -93.28 -45.05 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 92.6 m -54.48 -57.09 12.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -12.78 12.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 8.1 t30 -88.48 -36.3 16.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.464 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.48 -25.81 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 117.68 24.28 3.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.2 m -112.61 170.92 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.568 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.31 125.43 52.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 108.316 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.7 t80 -91.84 119.57 31.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 24.4 t70 -88.02 -83.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.68 -16.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -61.93 -43.53 98.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.442 ' HB ' HG11 ' 2' ' 45' ' ' VAL . 0.9 OUTLIER -121.93 110.21 33.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.94 14.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -8.2 63.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.593 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.46 -175.74 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.593 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.45 29.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 38.2 t -171.61 116.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 108.37 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.687 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -153.71 -166.9 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.528 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.2 69.57 20.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.687 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -104.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.432 ' H ' ' HB2' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -91.29 39.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 23.0 mm100 -49.97 -19.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 12.2 pt-20 -42.71 -23.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.72 -66.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -138.45 15.79 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.07 -57.78 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' 2' ' 54' ' ' GLU . 7.0 t -66.59 -27.64 67.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 t0 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.563 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 16.0 mtt180 -91.82 173.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.9 t -101.48 17.46 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.492 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 34.12 85.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.637 1.211 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.636 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 4.1 t -46.82 -39.17 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.6 61.02 2.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' SG ' ' 1' ' 21' ' ' CYS . 1.5 m-85 -91.84 153.38 43.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.64 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -137.86 46.97 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.3 p -73.35 127.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.05 155.39 15.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.632 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.08 52.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -96.66 -46.76 6.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 9.5 m -55.4 -53.46 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.57 -6.64 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.7 t30 -101.3 -29.38 12.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -82.64 -28.08 30.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.512 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 123.66 27.09 1.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 74.5 m -119.47 -177.98 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 7.4 t -127.72 121.02 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 42.6 t80 -88.11 123.44 32.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.2 t70 -91.45 -80.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.64 -13.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -65.25 -43.47 91.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.3 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.418 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.88 111.64 32.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.54 -4.82 59.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.563 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -120.99 -177.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.548 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.4 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.17 28.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.4 t -171.99 107.25 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -140.38 -167.69 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.599 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.8 67.83 41.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.665 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -100.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -87.57 36.25 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.599 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -59.72 -20.87 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -48.68 -21.1 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -44.49 -64.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.49 16.85 11.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 42.6 t -97.95 -87.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.8 t -44.71 -33.36 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 1' ' 58' ' ' THR . 40.1 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 23.5 t70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.672 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -49.3 -179.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -114.95 18.45 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.52 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.85 -33.82 62.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.18 57.77 17.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -91.39 139.62 25.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.6 Cg_endo -74.9 -8.4 20.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -125.59 29.68 5.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.544 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -50.08 121.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.447 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -169.6 155.35 5.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.447 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.6 Cg_endo -74.84 50.44 2.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -174.98 -22.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -97.89 -45.56 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.6 m -63.38 -55.38 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.1 -5.34 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 14.6 t30 -104.23 -29.58 10.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -86.49 -29.92 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.484 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.47 1.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.3 m -120.95 168.95 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.7 t -115.35 128.16 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.6 t80 -95.47 121.41 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.6 t70 -88.64 -84.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.574 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.9 OUTLIER 90.41 -17.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.97 -53.11 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.4 ' HB ' ' HB ' ' 2' ' 45' ' ' VAL . 0.5 OUTLIER -112.83 121.61 38.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.38 -8.92 65.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.575 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.59 170.96 4.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 113.65 3.83 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.92 28.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 18.8 t -169.52 101.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.691 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.6 -168.47 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 111.008 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.549 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.32 62.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.691 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.93 -98.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -94.42 38.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.549 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.5 mm100 -49.18 -20.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' 2' ' 52' ' ' LEU . 3.0 pt-20 -41.58 -25.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.85 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.72 14.77 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 6.7 t -92.82 -68.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.475 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 12.3 t -48.65 -22.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 t0 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 8.3 mtt180 -91.42 169.37 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 11.4 t -98.37 22.29 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.56 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 27.44 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.7 OUTLIER -48.39 -36.47 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.55 59.91 8.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.94 141.04 26.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 0.748 . . . . 0.0 110.931 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.89 19.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.607 1.846 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.5 32.15 5.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.56 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -54.15 128.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.447 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -167.16 151.97 6.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.594 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 57.1 4.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 175.9 -22.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -98.73 -46.52 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 21.6 m -55.97 -51.71 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -67.55 -3.43 8.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t30 -105.64 -27.82 11.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.636 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.88 -25.79 29.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.04 25.49 2.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.8 m -121.22 -178.28 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 8.1 t -126.49 124.69 40.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 48.7 t80 -86.71 121.87 29.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -86.17 -82.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 84.35 -22.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.444 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 2.2 mtp-105 -62.55 -44.19 96.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.456 ' CG2' HG12 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -119.98 110.32 36.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.23 17.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.49 -2.5 63.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.565 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -121.46 -177.89 0.54 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.576 0.81 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 117.26 4.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.544 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.17 28.2 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 14.3 t -169.19 105.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.94 -170.15 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.585 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.11 69.24 38.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.615 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.01 -101.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.66 33.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -56.3 -21.31 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.23 -25.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.3 -65.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.445 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.1 mt-10 -135.64 24.69 3.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -104.44 -55.21 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.9 t -68.51 -38.67 81.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 9.1 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.3 mtt180 -90.02 178.78 6.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 12.1 t -109.06 19.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.4 84.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.5 -37.1 16.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 108.328 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.04 59.28 7.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -90.82 142.83 28.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 179.948 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -2.35 12.42 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.413 1.744 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.4 t-160 -125.71 10.85 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.62 122.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.517 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.39 158.05 9.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.963 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -75.02 48.1 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER 179.83 -15.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.8 OUTLIER -100.34 -45.17 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 97.8 m -55.67 -55.65 29.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.525 1.141 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.19 -11.32 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -91.53 -33.61 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.96 -25.18 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.513 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.42 25.71 2.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.062 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.2 m -121.87 162.46 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.514 ' N ' ' OE1' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -109.15 125.84 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 108.245 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 40.7 t80 -88.45 120.0 29.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.554 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.7 -83.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.3 t 85.6 -22.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -66.1 -41.83 90.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.09 107.65 37.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -5.33 16.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.14 -7.25 68.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.607 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.2 m -121.37 -175.54 0.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.607 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 121.11 6.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.525 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.46 26.61 2.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 10.5 t -168.81 105.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -144.68 -171.26 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.83 69.28 25.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.654 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -93.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.541 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.26 38.17 1.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.6 mm100 -51.26 -21.29 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -39.33 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.942 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.11 -65.13 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.07 14.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.5 -54.42 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 -179.989 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.419 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 6.5 t -61.68 -43.64 98.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.943 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.58 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.6 mtt180 -90.45 171.86 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.6 t -102.24 19.3 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 31.49 86.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.24 -35.5 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.272 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.71 58.71 10.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.16 140.54 25.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 42.0 m-70 -126.75 12.33 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -37.96 124.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.545 ' C ' ' CD1' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER -164.51 156.33 13.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.54 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.396 1.735 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.03 -19.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -93.98 -45.71 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 85.9 m -55.43 -56.56 18.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 108.326 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.503 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m-80 -61.0 -9.02 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.382 1.051 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 8.5 t30 -95.03 -36.54 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.633 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.02 -23.1 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.45 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.13 20.76 3.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.7 m -120.57 156.85 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.522 ' HB2' ' HD2' ' 1' ' 51' ' ' PRO . 0.5 OUTLIER -100.82 125.39 47.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.257 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.29 119.0 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.907 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -79.32 -83.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 1.7 t 85.95 -23.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 5.4 mtp85 -64.53 -46.19 83.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.453 ' CG2' HG11 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -115.2 109.19 46.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.73 15.82 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.4 -3.7 61.26 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.58 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.08 -178.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.508 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.53 29.14 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 7.4 t -170.12 101.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.357 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -141.05 -171.5 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.57 68.82 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.932 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.675 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.03 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.57 1.826 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -91.62 39.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.591 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 10.9 mm-40 -54.98 -21.06 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.472 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.5 OUTLIER -43.39 -23.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.75 -67.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.471 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 19.6 mt-10 -118.27 16.1 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 9.1 t -98.88 -90.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -37.61 -33.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.7 t80 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.507 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 21.2 mtt180 -85.9 178.43 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 87.3 t -108.88 19.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 31.64 90.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -55.94 -31.69 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.333 179.948 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.65 56.01 17.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.418 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -85.55 143.15 38.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.507 0.769 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 -14.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 27.27 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.493 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.6 OUTLIER -43.08 114.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.411 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -167.44 154.2 7.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.411 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.02 50.06 2.43 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -170.5 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -98.64 -44.78 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 16.4 m -62.52 -55.79 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.89 -4.79 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.9 t30 -102.88 -29.95 11.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.479 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.61 -30.64 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.29 23.62 1.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.7 m -118.17 174.79 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.4 t -123.41 124.13 42.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 82.3 t80 -90.88 122.49 33.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -90.26 -83.72 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.584 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 88.06 -15.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -42.73 95.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.413 1.07 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.1 111.34 33.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.416 1.745 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.14 -5.6 62.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.542 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.65 -178.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 116.33 4.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.07 28.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 107.992 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 49.9 t -171.56 107.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 108.285 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.649 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -140.73 -167.92 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' 1' ' 56' ' ' GLU . 0.0 OUTLIER -123.13 68.09 35.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.04 -91.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -104.25 27.36 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.564 ' NE2' ' N ' ' 2' ' 54' ' ' GLU . 0.0 OUTLIER -50.92 -14.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.564 ' N ' ' NE2' ' 2' ' 53' ' ' GLN . 1.2 pp20? -50.39 -18.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.47 1.106 . . . . 0.0 110.205 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.609 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -34.23 -66.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 14.07 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.23 -79.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.7 OUTLIER -48.09 -25.47 1.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.909 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.5 mtt180 -90.25 172.57 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.2 t -105.15 19.2 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.48 86.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.57 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.72 -35.46 31.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 61.52 6.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.0 143.57 28.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 179.919 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -5.99 17.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -124.93 13.67 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.497 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.3 p -37.84 124.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.445 ' C ' ' CD1' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER -165.03 154.64 11.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.988 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.93 51.39 2.75 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.551 1.816 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 178.41 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 -179.945 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -94.91 -45.21 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 79.4 m -55.79 -56.1 24.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m-80 -61.48 -9.01 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.6 t-20 -98.84 -31.53 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.603 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.98 -22.97 31.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.98 16.75 4.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.529 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 15.1 m -120.61 157.49 29.43 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.504 ' HB2' ' CG ' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -103.12 126.94 50.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 179.913 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 43.4 t80 -90.87 118.18 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.0 t70 -82.48 -82.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 88.75 -16.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -58.91 -59.71 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.4 ' HB ' ' HB ' ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -108.05 125.41 32.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -14.27 21.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.507 1.793 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.75 65.31 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.564 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.43 169.1 7.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.555 ' O ' ' CE1' ' 1' ' 49' ' ' PHE . 18.6 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.01 29.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.916 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 7.9 t -169.65 99.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.327 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -142.41 -171.07 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.5 70.08 12.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.727 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -97.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -93.87 32.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.582 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.1 mm100 -52.31 -22.53 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -38.92 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -34.13 -67.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.453 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.5 mt-10 -137.12 25.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 t -105.63 -49.82 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.423 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.4 t -78.74 -39.81 35.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 41.0 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 39.1 t0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.664 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.4 mtt180 -48.57 179.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 22.9 t -113.77 20.02 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.44 89.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -53.74 -33.69 56.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.77 55.12 30.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.15 136.24 29.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -4.6 15.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -124.41 21.36 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.532 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.3 p -43.45 123.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.417 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.6 OUTLIER -165.63 152.52 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.489 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 48.27 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.417 ' N ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -177.21 -23.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -92.6 -44.85 8.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.0 m -61.43 -58.75 6.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -60.47 -8.45 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.7 t30 -101.31 -28.08 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.36 -25.99 21.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.88 22.12 2.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.6 m -120.77 164.87 15.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 6.3 t -112.08 128.04 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.236 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 58.5 t80 -95.29 120.76 36.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 20.6 t70 -88.06 -82.62 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 88.27 -15.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -60.52 -53.11 61.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -116.02 125.22 28.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -14.76 21.01 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.554 1.818 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.99 -9.27 68.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.564 HG11 ' N ' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.51 170.16 5.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.564 ' N ' HG11 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.07 115.21 4.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -88.28 28.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 108.029 179.987 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.537 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.4 t -169.64 100.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.685 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -138.0 -169.27 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.32 68.29 48.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.667 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -98.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.407 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.3 OUTLIER -95.5 35.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -47.14 -22.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -36.67 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.48 -65.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -134.99 11.9 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -87.06 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 1.4 t -66.3 -51.61 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.509 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 7.0 mtt180 -90.82 173.91 7.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 7.0 t -106.17 19.28 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.76 87.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -51.16 -35.71 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.23 63.2 4.48 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -91.84 141.15 25.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.43 0.724 . . . . 0.0 110.992 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -7.26 18.95 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -123.58 17.35 9.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 109.575 -179.987 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.547 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.03 128.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.74 152.47 8.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.471 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 51.18 2.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.73 -20.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -96.2 -42.77 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.547 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 50.6 m -58.57 -51.24 70.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.449 HD22 ' H ' ' 1' ' 38' ' ' PHE . 21.4 m120 -67.55 -4.25 11.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -105.12 -27.51 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.634 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.7 -23.95 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.196 -179.942 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.84 23.76 3.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.3 m -120.53 -178.77 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.37 125.87 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 58.9 t80 -90.55 121.9 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 23.3 t70 -90.57 -81.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.79 -15.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -59.66 -54.36 47.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -115.07 124.75 29.81 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.66 21.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.88 -9.82 65.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.565 1.165 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.56 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -107.34 169.72 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.556 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 113.12 3.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -86.82 29.65 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.8 t -170.54 98.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.27 -170.61 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.573 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.63 69.39 16.35 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.919 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.621 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.0 -100.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -90.38 34.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.573 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -54.57 -18.89 4.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.79 -25.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.916 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.01 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.39 1.057 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.496 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.6 mt-10 -128.82 27.91 5.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.3 t -108.12 -56.83 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -72.4 -29.39 63.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.4 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.2 mtt180 -92.81 178.73 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 96.8 t -108.4 19.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 33.03 84.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.529 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -47.42 -37.61 11.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.19 59.46 7.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -92.3 146.0 31.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -8.57 20.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -119.45 10.19 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.582 180.0 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.489 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -37.87 121.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.516 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -166.85 157.97 10.71 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.89 48.46 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER 179.87 -16.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.437 ' HB2' HG21 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -99.41 -44.6 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.7 m -55.76 -55.64 29.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.366 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.06 -9.89 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -92.16 -35.6 13.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.583 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.66 -26.2 32.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.49 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.75 25.25 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.573 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 65.7 m -117.18 168.26 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.0 t -111.99 131.3 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.256 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.3 t80 -94.56 118.9 32.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.38 -83.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.09 -21.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.428 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 23.0 mtm180 -65.66 -43.53 89.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.232 -179.924 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.436 ' CG2' HG12 ' 2' ' 45' ' ' VAL . 0.4 OUTLIER -120.0 109.71 37.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.51 61.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.576 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.53 -177.54 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.484 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.49 29.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 179.933 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 9.6 t -169.39 112.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.609 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -149.74 -169.91 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.02 70.75 61.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.609 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.03 -98.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.408 1.741 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -92.67 31.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.6 mm100 -44.42 -23.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.8 pt-20 -37.96 -27.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.98 -59.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.64 17.53 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -93.27 -69.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 108.315 -179.956 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.414 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 5.8 t -61.65 -41.28 97.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.987 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 9.5 mtt180 -90.38 175.74 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 46.1 t -104.49 19.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.54 85.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.573 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.65 -35.71 14.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.893 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.49 61.69 5.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.99 141.07 26.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -125.57 18.35 8.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.56 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -41.11 127.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.44 152.2 11.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.98 2.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.987 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.28 -22.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -94.89 -44.4 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 37.6 m -55.43 -52.2 64.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -67.56 -3.36 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t-20 -105.53 -26.4 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.414 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.32 -25.55 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.91 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.8 23.49 2.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.971 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -121.04 -177.33 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.573 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -127.79 126.73 42.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 108.33 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 40.6 t80 -89.08 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.573 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.31 -82.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 86.23 -23.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.004 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 5.4 mtp-105 -64.4 -43.3 94.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.446 ' HB ' HG11 ' 1' ' 45' ' ' VAL . 1.1 mt -120.92 106.49 39.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.8 -6.2 63.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.576 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.2 -176.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.368 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.576 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.91 118.92 5.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.96 29.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 107.982 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.4 t -168.49 103.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.9 -170.25 3.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.633 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.82 69.51 17.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.601 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.48 28.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.6 mm-40 -54.16 -22.89 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.471 ' CA ' HG23 ' 1' ' 58' ' ' THR . 0.6 OUTLIER -39.29 -28.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.05 -67.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -130.42 25.12 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 5.2 t -104.32 -55.61 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.471 HG23 ' CA ' ' 1' ' 54' ' ' GLU . 11.6 t -78.55 -38.2 40.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 79.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 55.3 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.627 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.5 mtt180 -93.25 176.07 6.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 11.6 t -108.72 18.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 34.97 87.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.88 -31.99 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 38.5 58.54 1.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.157 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.572 ' CD2' ' HD2' ' 2' ' 34' ' ' ARG . 1.0 OUTLIER -90.37 153.65 46.36 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.473 0.749 . . . . 0.0 110.873 -179.874 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -9.71 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -117.63 6.87 12.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -38.28 113.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.413 HG21 ' N ' ' 2' ' 29' ' ' LYS . 0.4 OUTLIER -163.67 163.79 15.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.441 ' HB3' ' CE2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 47.53 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' N ' HG21 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -179.82 -21.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -94.42 -43.24 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 85.2 m -54.18 -56.28 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -12.07 23.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -83.49 -38.82 21.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.572 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.35 -27.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.88 26.31 2.57 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 35.7 m -110.31 176.37 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.5 t -120.8 126.5 50.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 89.8 t80 -94.19 116.27 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.1 t70 -84.96 -82.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.572 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 89.94 -18.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -60.09 -40.69 90.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.427 ' HB ' ' HB ' ' 2' ' 45' ' ' VAL . 1.3 mt -120.28 119.58 30.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.43 19.71 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.93 -7.62 65.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.575 ' CG1' ' NH1' ' 2' ' 18' ' ' ARG . 0.4 OUTLIER -108.45 170.2 5.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.584 0.814 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.564 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 111.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -85.87 32.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 10.9 t -171.15 108.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.629 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -150.53 -171.13 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.583 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.21 73.33 27.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.629 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -109.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.638 ' CD2' ' O ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.16 32.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.393 179.908 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.595 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 27.6 mm-40 -42.29 -24.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.4 OUTLIER -33.76 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.64 -62.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -140.28 16.27 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.62 -62.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.99 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 0.8 OUTLIER -67.79 -47.7 68.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.951 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.436 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 1.7 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.1 mtt180 -53.18 177.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.3 t -111.6 19.31 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.34 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.1 t -49.04 -34.22 13.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.89 59.81 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' OH ' ' CE2' ' 2' ' 23' ' ' TYR . 0.6 OUTLIER -92.76 142.89 26.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -7.89 19.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -121.77 19.88 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.535 179.98 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.545 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -46.92 128.05 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.47 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER -165.57 151.94 8.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.614 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 53.28 3.28 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.41 1.742 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.37 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.7 OUTLIER -99.71 -45.73 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.906 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 14.9 m -54.92 -52.24 63.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -67.33 -4.09 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -103.82 -28.7 11.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.594 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.6 -30.34 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.15 25.58 1.18 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 -179.907 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 59.5 m -120.53 -177.69 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 7.2 t -126.86 126.92 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -81.09 129.52 34.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.584 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 9.5 t70 -71.13 -99.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.4 t 92.09 -9.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.938 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -91.34 -54.78 3.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.934 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.558 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.9 OUTLIER -117.83 122.21 30.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.16 21.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.31 -7.34 69.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.588 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.38 170.96 5.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' O ' ' CE1' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.01 117.28 4.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.09 30.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.665 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 8.9 t -168.26 97.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.662 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -140.79 -174.09 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.56 71.01 47.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -91.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.4 15.85 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.57 ' HG2' ' HD2' ' 1' ' 51' ' ' PRO . 27.9 mm100 -49.3 -23.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.87 -25.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -56.7 -85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.51 3.17 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 19.9 t -99.28 -73.37 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -45.73 -39.65 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.425 179.978 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.458 ' N ' HG22 ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.589 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.2 mtt180 -91.55 173.72 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -104.49 19.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER 32.8 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 4.2 t -47.46 -35.41 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.57 57.69 3.21 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.634 ' CE2' ' OH ' ' 1' ' 23' ' ' TYR . 3.1 m-30 -91.63 146.71 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -122.88 11.26 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.671 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.553 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -41.32 124.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.43 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.4 OUTLIER -164.85 154.21 11.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 47.34 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.81 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 24.1 tttt -178.95 -20.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 1.2 mt-10 -94.82 -44.64 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.218 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.553 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.1 m -55.2 -56.19 22.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -61.05 -13.14 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -94.34 -28.04 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -86.32 -27.2 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.96 24.15 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.6 m -118.44 177.5 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.553 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.2 t -123.99 127.85 48.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.4 t80 -92.87 123.65 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.8 t70 -91.02 -82.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 88.62 -15.88 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -60.0 -51.27 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 179.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.36 125.14 28.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.913 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -15.53 20.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.25 -10.29 68.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.563 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.91 169.64 6.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.563 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.31 29.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.038 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 34.7 t -171.52 101.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.71 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.86 -168.13 2.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.458 ' CB ' ' HG2' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.92 66.92 30.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.71 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.95 -88.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.571 ' CD2' ' C ' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -103.88 27.42 7.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -48.4 -17.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.406 1.066 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' HB2' ' CG2' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.55 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.11 -64.83 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.78 15.71 6.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 33.2 t -92.56 -79.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' 2' ' 54' ' ' GLU . 9.8 t -42.83 -38.84 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.419 ' N ' HG22 ' 2' ' 58' ' ' THR . 1.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.943 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.7 mtt180 -92.98 179.88 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.388 179.929 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.78 20.15 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.1 OUTLIER 34.46 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.597 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -56.8 -33.72 66.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.98 54.79 21.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.632 ' CE2' ' SG ' ' 1' ' 36' ' ' CYS . 0.1 OUTLIER -90.31 140.39 27.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -12.87 21.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.8 10.01 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.566 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -41.24 128.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . 0.597 ' C ' ' CD1' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER -169.21 153.69 5.56 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.157 . . . . 0.0 110.421 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 59.59 5.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 166.2 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' 1' ' 33' ' ' ASN . 0.5 OUTLIER -93.92 -45.7 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 22.8 m -53.6 -50.71 65.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.4 m-80 -75.47 8.29 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 44.0 t30 -106.72 -40.54 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.93 -37.58 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 139.98 23.41 0.3 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.632 ' SG ' ' CE2' ' 1' ' 23' ' ' TYR . 65.9 m -118.91 165.27 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.582 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 19.9 t -111.77 126.15 54.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.373 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' 1' ' 27' ' ' THR . 36.3 t80 -92.69 119.51 32.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' 1' ' 41' ' ' ARG . 49.4 t0 -79.86 -82.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 84.05 -31.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -63.3 -40.26 96.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.31 104.08 43.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.909 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.82 17.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.49 -5.38 67.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.583 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.64 -176.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.557 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.414 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.44 28.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.019 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.4 t -167.72 103.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.674 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.99 -168.79 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.972 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -126.07 68.91 65.5 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 109.23 -179.963 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.95 -99.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.76 37.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.7 mm100 -56.49 -23.51 39.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.01 -23.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.46 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -43.69 -65.07 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.81 17.94 11.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 36.6 t -98.16 -86.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.469 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 7.9 t -42.61 -26.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.7 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 17.7 mtt180 -90.16 174.64 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.6 t -101.06 20.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.46 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 8.8 t -49.37 -35.7 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.1 45.57 95.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.49 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -82.52 135.34 46.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.05 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.61 24.06 9.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.525 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.6 OUTLIER -43.65 119.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.42 149.6 9.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 50.2 2.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -176.69 -25.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -92.69 -44.34 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.3 m -62.57 -57.58 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -61.62 -6.84 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 23.5 t30 -105.39 -25.68 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.514 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.97 -28.09 19.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.529 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.26 20.51 1.99 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.52 ' CB ' ' SG ' ' 2' ' 48' ' ' CYS . 96.9 m -120.46 168.03 11.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.8 t -116.88 128.17 54.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.082 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 55.6 t80 -91.06 123.5 34.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.555 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 1.2 t70 -86.7 -85.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.1 t 90.4 -20.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.433 ' N ' ' OD2' ' 2' ' 39' ' ' ASP . 4.5 mtp180 -61.88 -48.07 82.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.485 ' CG2' HG12 ' 2' ' 45' ' ' VAL . 0.9 OUTLIER -116.14 112.48 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.913 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -7.03 18.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.03 0.18 60.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.533 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.95 -178.1 0.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.435 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.6 28.37 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.977 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 30.7 t -170.31 103.97 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.667 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.29 -168.7 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.72 68.93 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.924 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.632 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.02 -97.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.455 1.766 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -95.34 38.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.565 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -52.52 -18.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 3.5 pt-20 -41.94 -25.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.01 -85.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -111.74 17.39 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -95.59 -68.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 108.364 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.461 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 14.9 t -43.58 -25.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' 2' ' 57' ' ' CYS . 12.2 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 43.1 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.616 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 8.3 mtt180 -93.19 175.87 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.1 t -106.87 16.52 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 38.6 86.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.628 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 1.9 t -46.76 -38.74 10.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.5 56.79 6.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.166 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.628 ' CE1' ' SG ' ' 1' ' 21' ' ' CYS . 1.7 m-85 -91.63 148.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.14 13.43 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 179.968 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.571 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -44.6 125.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.7 155.18 9.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.364 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -74.94 52.08 2.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.62 -20.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -96.66 -44.49 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.8 m -56.21 -53.17 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -67.03 -2.45 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 35.7 t-20 -105.27 -28.92 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -85.19 -26.89 26.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.75 26.46 1.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 72.0 m -119.85 176.66 5.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -121.54 123.4 41.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 37.8 t80 -93.96 119.08 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 33.3 t70 -85.68 -79.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.6 -14.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -66.17 -42.21 89.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.4 ' HB ' HG11 ' 1' ' 45' ' ' VAL . 1.2 mt -122.38 109.25 33.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.14 -7.52 62.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.586 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -121.33 -175.94 0.38 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 117.21 4.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -92.98 28.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 107.988 179.978 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.574 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.9 t -170.48 108.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.616 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -145.51 -168.61 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 -179.978 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.574 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -124.11 70.27 51.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.616 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -100.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.72 33.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.574 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 27.8 mm100 -52.36 -19.41 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 179.953 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 7.3 pt-20 -40.92 -26.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.45 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . 0.468 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER -127.73 24.2 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.933 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.415 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.2 t -105.11 -53.03 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 2.5 t -80.65 -37.71 30.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.6 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.642 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 21.4 mtt180 -87.96 175.52 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 110.335 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 44.9 t -105.92 19.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.63 85.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.08 -36.13 28.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.353 179.969 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.69 58.45 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.669 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.99 141.93 26.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.737 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.77 10.5 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.562 -179.957 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.76 122.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.511 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -167.86 159.17 9.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.511 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.95 47.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER 179.56 -15.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -99.17 -46.89 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 86.9 m -54.26 -56.79 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.31 -11.84 11.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . 0.4 ' O ' ' OH ' ' 1' ' 23' ' ' TYR . 7.2 t30 -89.74 -35.85 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.669 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.59 -25.44 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.967 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.544 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.59 25.82 2.77 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.141 . . . . 0.0 111.067 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 59.8 m -120.46 161.79 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.527 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -108.01 125.81 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.334 179.968 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 36.4 t80 -87.68 120.76 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.567 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.07 -83.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.67 -22.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.419 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 14.2 mtm105 -64.81 -44.03 91.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.46 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.9 OUTLIER -118.45 109.67 40.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -6.86 18.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.45 -4.55 65.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 1.0 OUTLIER -120.46 -177.14 0.45 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 120.22 5.97 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.586 1.835 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.09 26.69 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 -179.993 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 9.0 t -168.98 105.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.654 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.04 -170.97 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.051 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.69 39.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.637 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.98 -91.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -100.84 38.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.578 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 pp20? -39.19 -26.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.18 -61.92 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . 0.425 ' OE2' ' NZ ' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -136.76 14.69 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.381 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -90.58 -80.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 -179.975 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' 1' ' 54' ' ' GLU . 6.0 t -46.9 -32.32 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.442 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.056 179.948 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.4 mtt180 -91.18 177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 19' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.73 20.04 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.73 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 21' ' ' CYS . . . . . 0.571 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.3 t -52.15 -34.35 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.383 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 64.58 2.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 1' 1 ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.25 140.59 24.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.995 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.05 12.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -130.47 19.4 5.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.666 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 1' 1 ' 26' ' ' VAL . . . . . 0.542 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.29 128.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.366 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.34 152.2 12.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.432 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 28' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 51.81 2.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 29' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.71 -21.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.9 OUTLIER -95.46 -43.46 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 40.6 m -56.36 -50.7 70.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -69.05 -3.43 13.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 28.1 t30 -104.42 -27.35 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 34' ' ' ARG . . . . . 0.641 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.49 -26.17 28.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.99 23.55 2.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 36.8 m -120.93 -177.54 3.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 6.6 t -126.91 126.4 43.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 38' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 55.7 t80 -89.56 123.1 33.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.6 t70 -91.3 -82.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 40' ' ' SER . . . . . 0.543 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 1.0 OUTLIER 88.9 -15.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -58.53 -60.53 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 1' 1 ' 42' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' 1' ' 43' ' ' PRO . 0.2 OUTLIER -110.45 126.54 28.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.921 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -13.09 21.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.9 -8.85 64.64 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 1' 1 ' 45' ' ' VAL . . . . . 0.566 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -107.01 169.5 6.7 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 46' ' ' PRO . . . . . 0.561 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 113.02 3.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 47' ' ' TRP . . . . . 0.407 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.41 28.65 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 108.027 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 48' ' ' CYS . . . . . 0.571 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 11.6 t -169.79 98.92 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.84 -169.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 50' ' ' LYS . . . . . 0.574 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.55 68.5 21.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 51' ' ' PRO . . . . . 0.655 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.94 -99.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 52' ' ' LEU . . . . . 0.594 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -88.11 32.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 53' ' ' GLN . . . . . 0.574 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.2 mm100 -55.86 -21.19 18.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 54' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -44.8 -23.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.0 110.376 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 55' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.83 -64.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.52 22.43 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -102.24 -55.06 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.36 179.912 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 1' 1 ' 58' ' ' THR . . . . . 0.577 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 4.0 t -64.51 -41.45 96.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 1' 1 ' 59' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.8 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 2' 2 ' 17' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.8 t0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 2' 2 ' 18' ' ' ARG . . . . . 0.657 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 14.3 mtt180 -47.06 175.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 19' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.0 t -108.16 19.43 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.0 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.3 t -41.49 -40.18 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.26 47.72 85.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.563 1.164 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -91.96 132.68 32.08 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.553 0.796 . . . . 0.0 110.98 179.993 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -4.1 14.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.39 13.07 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.615 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 26' ' ' VAL . . . . . 0.566 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -40.53 128.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.188 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 27' ' ' THR . . . . . 0.53 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER -166.34 154.31 9.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 47.09 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.0 tttt -179.26 -15.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 30' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -100.64 -44.5 5.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 110.28 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.9 m -56.92 -56.09 26.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.145 . . . . 0.0 108.24 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 32' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -61.44 -13.43 20.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 2' 2 ' 34' ' ' ARG . . . . . 0.577 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -88.13 -24.94 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.43 21.9 3.89 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 36' ' ' CYS . . . . . 0.488 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 5.6 m -121.49 174.81 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 37' ' ' CYS . . . . . 0.542 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.49 133.09 56.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.0 t80 -88.85 124.56 34.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 39' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -68.44 -98.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 40' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.7 t 93.31 -11.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 41' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 3.5 mtp-105 -91.12 -59.07 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 42' ' ' ILE . . . . . 0.517 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER -109.25 118.32 51.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -11.63 21.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.77 -8.65 65.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 2' 2 ' 45' ' ' VAL . . . . . 0.59 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -105.88 170.84 5.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 46' ' ' PRO . . . . . 0.605 ' O ' ' CE1' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.01 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 47' ' ' TRP . . . . . 0.514 ' HA ' ' CB ' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -86.32 30.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 108.036 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 1.8 t -169.35 95.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 49' ' ' PHE . . . . . 0.657 ' CD2' ' HG2' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -139.11 -175.36 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 50' ' ' LYS . . . . . 0.513 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -116.95 70.64 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 51' ' ' PRO . . . . . 0.653 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.97 -105.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 52' ' ' LEU . . . . . 0.454 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -97.69 37.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 20.4 mm100 -43.11 -24.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 54' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' 2' ' 52' ' ' LEU . 4.8 pt-20 -40.15 -26.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 55' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.99 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -118.8 22.07 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.63 -72.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.308 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' 2' 2 ' 58' ' ' THR . . . . . 0.412 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 12.6 t -47.28 -29.29 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.935 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.638 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 2.9 mp0 -90.72 82.54 5.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.485 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 8.0 m-85 -29.96 86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.638 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 32.7 m -136.41 -47.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.249 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' 1' ' 10' ' ' GLN . . . -68.33 -4.41 37.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.459 ' HA ' ' HG3' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -125.19 -1.5 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.226 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' 1' ' 8' ' ' ALA . 43.0 t -108.48 -145.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.982 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.597 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -40.93 142.23 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 89.93 -34.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.459 ' HG3' ' HA ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -62.89 -43.86 97.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.708 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 21.3 t -63.41 -6.03 4.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -107.13 21.01 18.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.546 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -40.61 166.43 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.527 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.94 2.85 6.13 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.756 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.528 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 85.47 52.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.469 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 172.34 45.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.546 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 50.9 t0 -155.03 11.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 5.8 mtt180 -92.13 -178.44 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.6 t -116.28 19.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.32 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.61 -34.54 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.252 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.63 56.31 25.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -91.75 141.16 25.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.941 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -128.72 44.41 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.491 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 0.9 OUTLIER -62.76 122.12 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -168.55 154.29 6.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.476 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.06 55.25 3.92 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER -178.36 -26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 3.1 mt-10 -95.35 -47.63 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.491 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.7 -55.92 19.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -61.99 -6.79 3.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 21.3 t30 -106.0 -26.93 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.5 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.83 -30.48 22.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.54 22.73 1.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.502 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 75.4 m -121.7 175.63 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.6 t -122.3 126.44 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.5 t80 -90.76 122.91 33.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.1 t70 -91.12 -83.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.544 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 89.14 -16.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.75 -58.03 9.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.528 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -114.75 129.79 24.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.4 Cg_endo -75.04 -14.79 20.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.08 -8.11 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.58 169.11 7.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.553 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.01 114.01 3.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.54 28.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 38.0 t -170.81 103.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.339 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.659 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.14 -170.14 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.629 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.08 68.9 27.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.708 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -97.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.746 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.58 ' CD2' ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.37 31.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.1 mm-40 -54.06 -23.99 15.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' 1' ' 58' ' ' THR . 3.5 tt0 -39.2 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.34 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.25 25.34 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.478 ' O ' ' HG2' ' 2' ' 50' ' ' LYS . 4.5 t -104.98 -64.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.465 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.7 t -55.92 -46.54 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -88.49 49.59 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' 2' ' 3' ' ' TYR . 25.7 p90 -91.04 71.18 6.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 p -125.85 -50.56 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.99 -1.22 31.83 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.55 ' HA ' ' NE2' ' 2' ' 10' ' ' GLN . 0.0 OUTLIER -134.37 16.45 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 0.792 . . . . 0.0 109.215 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 81.1 p -106.89 -161.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.605 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -66.32 85.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 166.47 -27.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.645 HE21 ' C ' ' 2' ' 51' ' ' PRO . 15.3 tt0 -60.24 -31.92 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.683 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 49.5 t -71.96 -2.24 17.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 108.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -120.25 7.41 10.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.547 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.67 167.18 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.547 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 27.84 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.545 ' HB3' ' CG1' ' 2' ' 45' ' ' VAL . . . 49.9 72.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 164.86 41.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.236 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.458 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 32.1 t0 -161.81 13.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.658 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.5 mtt180 -90.86 176.46 6.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.5 t -105.72 18.55 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.606 1.191 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 86.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.9 t -42.39 -40.11 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.59 50.54 66.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.672 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -92.82 135.17 26.46 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 25.19 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.523 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -52.48 129.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.515 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -169.18 155.47 6.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.515 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.96 47.91 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -177.95 -17.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -100.26 -46.88 5.13 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.3 m -57.85 -56.24 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 108.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -59.65 -13.86 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -97.83 -25.2 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -86.63 -24.44 25.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.502 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.83 22.77 3.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.128 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.524 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 5.3 m -121.03 177.15 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.2 t -123.1 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 108.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 55.5 t80 -92.8 119.4 32.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.48 -83.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.83 -24.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 1.4 mtp180 -64.81 -43.39 93.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -120.77 106.04 40.0 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -2.67 12.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.808 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.71 -6.08 64.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.591 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.1 m -121.54 -176.12 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.591 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 118.65 5.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.507 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.16 28.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 107.994 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.617 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 33.8 t -168.89 101.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.671 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -170.91 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.504 ' CE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -116.78 67.87 4.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.683 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -105.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.605 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -94.3 40.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.524 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 30.8 mm100 -46.91 -22.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.519 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 mt-10 -37.77 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.4 -70.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.5 mp0 -135.61 19.6 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.88 -63.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.479 HG22 ' N ' ' 2' ' 59' ' ' PHE . 15.2 t -57.04 -33.07 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.479 ' N ' HG22 ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -86.95 -129.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.455 ' HA ' ' CD2' ' 1' ' 6' ' ' LEU . 8.3 m-85 -88.64 81.15 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 19.2 m -125.66 -57.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.446 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -68.61 2.46 7.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -145.85 26.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -103.42 163.67 12.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.49 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -67.69 -5.37 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -9.22 36.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.51 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -64.99 -41.6 95.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.624 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 51.5 t -74.74 0.84 13.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 108.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.6 10.69 24.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.554 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -50.13 165.41 0.32 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.554 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 29.05 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' 1' ' 13' ' ' VAL . . . 44.8 57.67 4.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 31.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.404 ' HB3' HG22 ' 1' ' 13' ' ' VAL . 10.0 t70 -157.87 16.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.6 mtt180 -87.73 173.13 9.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 8.8 t -101.7 19.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.84 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.2 OUTLIER -49.92 -35.89 25.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.243 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.85 60.51 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.73 146.24 33.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.28 19.86 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -127.72 29.32 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.529 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.7 p -53.61 127.4 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.478 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -168.66 155.21 6.87 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 55.04 3.84 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.97 -21.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 1.7 mp0 -99.04 -47.6 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 11.1 m -56.11 -52.4 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 108.274 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -66.39 -3.78 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 42.5 t-20 -105.55 -27.91 11.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.573 ' CD ' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.35 -22.69 30.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.16 25.51 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 26.6 m -120.62 -178.01 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -129.41 122.87 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 69.9 t80 -87.8 122.02 30.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 20.2 t70 -91.11 -83.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.587 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.61 -17.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.971 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -60.68 -43.97 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.07 112.95 33.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -6.99 18.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.585 1.834 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.67 -4.9 63.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.603 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.4 m -120.34 -178.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.603 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.9 116.69 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.25 27.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 42.6 t -171.0 110.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.3 OUTLIER -148.88 -170.35 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.32 71.74 12.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.624 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -93.41 32.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.559 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.0 mm-40 -53.63 -20.33 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.244 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.495 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.99 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 24.11 7.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.03 -51.1 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.4 t -85.23 -37.81 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 67.87 6.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.641 ' O ' ' CD2' ' 2' ' 3' ' ' TYR . 37.5 p90 -90.85 82.22 5.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -133.24 -57.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.467 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -68.68 1.87 9.02 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.498 ' N ' ' CD1' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -145.36 25.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.33 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 27.8 p -106.17 174.7 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.946 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.512 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -66.2 87.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER 162.86 -24.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.509 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -58.77 -36.06 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.663 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 42.2 t -68.07 -7.57 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.16 9.9 34.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.509 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -40.81 160.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.207 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.488 ' N ' HG12 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -74.93 29.5 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.827 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.515 ' HB3' ' CG1' ' 2' ' 45' ' ' VAL . . . 52.34 70.99 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.499 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.86 41.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.466 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 11.0 t70 -159.46 11.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.9 mtt180 -90.79 178.76 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -110.5 21.57 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.1 t0 32.52 87.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 7.5 t -49.32 -36.95 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.67 53.11 48.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.58 139.38 29.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -10.47 21.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -122.86 30.42 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.534 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -50.25 120.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.432 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -168.71 153.96 6.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.456 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 51.31 2.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -174.83 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -98.36 -45.56 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.234 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.1 m -63.29 -55.69 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.34 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.75 -5.3 3.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 19.9 t30 -104.87 -29.12 10.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' 2' ' 31' ' ' CYS . 0.0 OUTLIER -86.77 -31.93 20.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 128.61 25.11 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.095 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 90.3 m -122.48 168.59 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.1 t -115.21 129.6 56.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 47.4 t80 -94.77 119.47 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.538 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.27 -83.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.538 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.2 t 86.1 -24.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -65.43 -43.22 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.481 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.22 106.77 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.512 1.796 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.04 -6.69 66.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.588 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.32 -175.64 0.36 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.588 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 121.4 6.52 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.455 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.97 27.21 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 107.979 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 25.8 t -168.52 101.48 0.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.392 1.057 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.43 -168.77 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.52 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.44 68.44 39.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.663 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.97 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.567 ' CD2' ' C ' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.06 35.53 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.52 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 36.7 mm-40 -53.84 -19.3 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.4 OUTLIER -44.85 -19.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.15 -63.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -144.69 16.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.445 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.37 -55.13 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 108.34 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 2.7 t -64.9 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.05 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.58 ' HA ' ' CE1' ' 1' ' 3' ' ' TYR . 21.0 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -74.46 -9.78 58.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' 1' ' 3' ' ' TYR . 27.0 p90 -91.3 102.66 15.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -108.72 -50.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.488 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -73.1 10.98 5.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.62 ' N ' ' CD1' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -139.0 14.95 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.789 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.421 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 85.0 p -106.63 175.01 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.521 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -62.45 83.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' 1' ' 7' ' ' SER . 7.5 t-20 173.86 -33.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -60.5 -33.4 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.657 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 40.7 t -65.7 -6.54 11.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.492 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -100.21 20.52 14.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.54 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -41.8 167.76 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 2.85 6.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.534 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 83.78 45.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.401 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 175.99 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 22.2 t0 -149.66 12.2 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.569 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 3.2 mtt180 -91.06 179.9 5.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -111.69 19.13 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 34.96 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -51.92 -34.22 40.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.1 57.66 18.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.01 144.2 29.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -12.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.08 45.02 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.479 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -61.45 120.99 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.566 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -170.17 154.18 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.444 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 58.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.584 1.834 . . . . 0.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -178.99 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.471 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -97.61 -46.43 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.18 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.35 -54.67 29.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -64.06 -4.77 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 24.2 t30 -107.39 -27.42 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.49 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.55 -30.76 23.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.606 1.191 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.78 23.59 1.17 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.49 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 71.3 m -121.47 176.26 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.551 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -123.29 123.4 40.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 108.361 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 58.4 t80 -90.1 120.79 31.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.8 t70 -86.99 -82.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 86.33 -14.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -64.4 -45.38 87.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.534 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -121.9 116.88 29.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.04 19.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.64 -2.95 64.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.542 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.65 178.41 1.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 115.44 4.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.466 1.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.5 27.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.089 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 48.6 t -170.98 107.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.397 1.061 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.39 -169.0 2.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.57 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.48 69.34 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.657 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -98.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.375 1.724 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.521 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -92.38 32.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.229 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.57 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.1 mm-40 -55.22 -22.67 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.2 OUTLIER -40.37 -26.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.71 -72.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 109.215 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.32 24.88 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.69 -58.07 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 108.319 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.5 t -66.81 -42.34 86.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -89.74 74.37 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.05 79.12 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 81.3 t -114.96 -50.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.427 ' O ' ' CD ' ' 2' ' 10' ' ' GLN . . . -70.82 1.61 22.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.504 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -132.26 11.98 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.256 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.456 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.4 OUTLIER -108.6 -169.41 1.49 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.489 ' HA ' ' CG ' ' 2' ' 52' ' ' LEU . . . -59.93 84.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' 2' ' 7' ' ' SER . 7.9 t-20 171.01 -31.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.619 HE21 ' C ' ' 2' ' 51' ' ' PRO . 14.4 tt0 -61.18 -28.93 69.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.647 ' N ' ' HB2' ' 2' ' 51' ' ' PRO . 50.6 t -73.72 -0.92 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.323 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -116.69 4.64 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.55 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.37 166.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.55 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 27.73 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' 2' ' 13' ' ' VAL . . . 44.91 57.65 4.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.04 32.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.257 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.414 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 20.7 t70 -160.45 18.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.0 mtt180 -87.03 176.11 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -105.84 19.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 29.98 87.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -47.33 -33.98 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.337 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.44 49.37 77.2 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.543 1.152 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -86.87 133.93 38.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.734 . . . . 0.0 110.961 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.86 25.34 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.573 HG23 ' CE2' ' 2' ' 38' ' ' PHE . 1.2 p -45.75 121.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.53 ' HA ' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER -168.5 152.89 5.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.503 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -74.98 49.12 2.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.82 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -97.36 -45.53 6.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 17.7 m -62.33 -56.15 21.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -63.53 -6.95 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -100.63 -30.98 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.277 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -85.95 -29.82 23.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 126.12 24.27 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.486 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 63.4 m -121.48 166.68 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 1.8 t -114.96 130.4 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.573 ' CE2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t80 -99.37 118.33 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.1 t70 -81.58 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER 87.15 -14.57 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -68.14 -43.23 78.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.406 ' HB ' ' CG1' ' 2' ' 45' ' ' VAL . 0.3 OUTLIER -120.06 111.76 35.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.31 -2.56 60.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.542 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -119.75 179.93 0.8 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 115.09 4.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 28.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 108.02 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 23.2 t -169.53 102.08 0.33 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.544 1.152 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.63 -170.95 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.411 ' HG3' ' HG3' ' 2' ' 53' ' ' GLN . 2.9 mppt? -120.22 69.08 14.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.647 ' HB2' ' N ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.01 -104.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.489 ' CG ' ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -95.7 42.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' 2' ' 35' ' ' GLY . 21.4 mm100 -52.1 -18.96 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -40.96 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.95 -65.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.1 23.61 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -102.64 -54.91 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.283 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.459 HG21 ' CD2' ' 1' ' 6' ' ' LEU . 7.2 t -66.0 -41.87 90.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' 1' ' 3' ' ' TYR . 1.2 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.34 65.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' 1' ' 1' ' ' GLU . 9.2 m-85 -69.8 90.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' 1' ' 5' ' ' GLY . 18.5 m -101.85 -54.93 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' 1' ' 6' ' ' LEU . . . -73.21 9.4 7.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.596 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -138.05 11.36 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.479 ' N ' ' HB3' ' 1' ' 10' ' ' GLN . 0.3 OUTLIER -77.83 -168.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.158 . . . . 0.0 109.993 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.543 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -69.4 -23.63 63.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.88 -2.64 58.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.65 ' HG3' ' N ' ' 1' ' 11' ' ' CYS . 0.0 OUTLIER -66.19 -37.73 86.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.65 ' N ' ' HG3' ' 1' ' 10' ' ' GLN . 15.1 t -68.75 -4.95 17.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.61 17.11 18.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.568 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -50.86 164.9 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.377 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.568 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.96 29.38 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' 1' ' 13' ' ' VAL . . . 42.73 55.65 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.44 30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -158.55 17.92 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 20.5 mtt180 -86.79 173.4 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.529 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.9 t -103.59 19.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.0 OUTLIER 30.81 90.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.28 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.33 -34.89 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.46 55.31 30.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.523 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -89.07 142.35 30.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.471 0.748 . . . . 0.0 110.952 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.81 37.63 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.573 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.489 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.1 p -56.08 118.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.21 153.25 7.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 59.03 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.7 OUTLIER 178.69 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -97.16 -46.26 6.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.0 m -63.82 -57.1 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.518 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -61.55 -7.1 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.1 t30 -106.09 -25.64 11.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.536 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.15 -26.04 22.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.231 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.81 21.92 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 81.8 m -120.03 173.91 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -121.27 122.65 40.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 108.355 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.587 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 74.0 t80 -90.46 121.64 32.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.187 . . . . 0.0 110.943 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 14.6 t70 -90.09 -84.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.587 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 89.16 -18.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.925 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -60.44 -44.96 95.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -120.76 113.58 33.1 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.21 18.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.53 -4.21 64.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.574 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.01 -179.27 0.68 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 117.66 4.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.581 1.832 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.24 27.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 44.3 t -170.98 107.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -142.27 -169.84 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.5 69.19 22.52 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.637 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.6 Cg_endo -74.92 -98.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.543 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.53 35.13 1.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.556 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 46.5 mm-40 -57.58 -18.89 22.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.435 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.51 -23.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -47.72 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.29 26.75 9.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 45.5 t -105.58 -74.43 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.463 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 1.5 t -68.6 -30.12 68.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' 1' ' 58' ' ' THR . 20.4 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.27 68.35 8.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.552 ' CD2' HD23 ' 2' ' 6' ' ' LEU . 17.0 m-85 -90.87 81.7 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.52 -51.1 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.491 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -71.97 5.43 13.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.552 HD23 ' CD2' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -140.35 14.66 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 2.5 t -107.92 176.92 4.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -64.14 90.71 0.07 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 3.2 t-20 162.7 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.494 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.8 -32.23 72.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.694 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 43.5 t -63.96 -10.52 21.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -99.47 14.23 30.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.52 HG12 ' N ' ' 2' ' 14' ' ' PRO . 0.8 OUTLIER -38.29 159.23 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.52 ' N ' HG12 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 30.71 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.545 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 49.94 65.56 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.245 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.99 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 11.1 t70 -160.8 14.74 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.542 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 14.7 mtt180 -90.58 176.27 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 39.1 t -107.43 19.11 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 32.18 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -52.64 -33.59 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.33 56.35 23.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.81 141.87 28.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -12.38 21.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -123.1 32.72 5.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.525 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.506 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -51.25 118.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.468 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -170.04 155.09 5.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -173.06 -24.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -98.99 -44.76 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.386 1.054 . . . . 0.0 110.253 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 13.3 m -65.02 -53.59 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -65.69 -4.99 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -105.59 -27.9 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.475 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.99 -31.19 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.495 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 127.54 24.49 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.516 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 73.9 m -121.59 168.61 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.441 ' N ' ' OE1' ' 2' ' 53' ' ' GLN . 5.6 t -115.02 125.67 53.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 70.4 t80 -92.58 121.22 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.5 t70 -88.6 -83.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.579 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.11 -14.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -64.56 -45.73 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.545 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.41 113.94 31.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.92 16.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.44 -4.57 62.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.542 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 1.0 OUTLIER -120.75 -179.25 0.69 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.531 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.14 27.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 107.997 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 46.0 t -169.89 104.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.688 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.87 -167.91 2.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.496 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.19 62.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.694 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -95.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.068 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -99.66 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.571 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 21.5 mm100 -49.75 -19.08 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.469 ' HA ' ' CG2' ' 2' ' 58' ' ' THR . 23.0 mt-10 -41.98 -24.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.13 -69.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -138.54 22.49 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.09 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.469 ' CG2' ' HA ' ' 2' ' 54' ' ' GLU . 10.1 t -61.31 -38.32 86.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.79 67.36 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -90.57 75.81 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.05 -51.52 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.31 -2.09 31.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.554 ' N ' ' CD1' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -133.87 10.2 3.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.455 0.738 . . . . 0.0 109.243 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 80.6 p -61.74 -171.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.509 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -71.22 -9.9 58.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.91 -11.31 28.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.541 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 1.5 pt20 -59.93 -42.3 93.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.359 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.647 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 12.3 t -61.77 -9.56 6.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.15 . . . . 0.0 108.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' 1' ' 10' ' ' GLN . . . -100.73 17.67 21.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.54 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -47.03 166.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.54 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 27.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.511 ' CB ' HG22 ' 1' ' 45' ' ' VAL . . . 47.87 64.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.66 36.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.43 ' HB3' HG23 ' 1' ' 13' ' ' VAL . 7.6 t70 -160.65 16.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.5 mtt180 -89.52 170.67 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 51.3 t -101.18 19.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 31.03 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.48 -35.65 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.82 34.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.404 1.065 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -89.32 141.36 28.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -11.79 21.52 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -123.68 34.3 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.516 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.0 OUTLIER -52.88 118.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -167.92 154.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 57.18 4.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.0 ttpt -179.42 -25.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -97.66 -45.39 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 6.6 m -64.44 -55.66 19.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -63.52 -5.55 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 21.5 t30 -106.01 -27.9 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.66 -30.19 23.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.479 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.45 24.04 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.499 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 85.0 m -121.59 175.15 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.533 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.9 t -121.18 123.53 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 75.9 t80 -91.0 121.77 33.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.8 t70 -90.03 -84.52 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.54 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -60.8 -45.22 95.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.458 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -120.7 111.85 34.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.63 -5.09 60.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.585 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.2 m -120.61 -177.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.585 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 117.07 4.78 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.6 27.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 43.8 t -170.79 106.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.36 -169.62 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.529 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.3 OUTLIER -121.87 69.5 26.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.647 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.1 Cg_endo -75.03 -100.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.509 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -92.46 35.02 1.02 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.529 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 42.1 mm-40 -54.56 -18.45 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.427 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 1.9 pt-20 -42.82 -25.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.87 -70.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.1 mm-40 -129.08 25.72 5.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 3.6 t -105.28 -58.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.45 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.1 t -63.69 -42.91 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.4 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.88 69.06 10.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.476 ' CG ' HD21 ' 2' ' 6' ' ' LEU . 4.0 m-85 -90.38 75.94 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.7 -51.31 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.373 1.045 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' 2' ' 10' ' ' GLN . . . -70.84 -0.12 31.84 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -130.03 10.53 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.468 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.1 OUTLIER -106.88 -164.92 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.021 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.501 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -59.14 83.75 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 167.73 -30.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.507 ' O ' HG22 ' 2' ' 13' ' ' VAL . 15.5 tt0 -64.54 -31.44 72.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.699 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 45.0 t -64.12 -7.12 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.331 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.09 20.42 18.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -42.19 167.66 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.505 ' O ' ' CB ' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 3.46 5.59 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.51 ' C ' ' CG ' ' 2' ' 16' ' ' LYS . . . 83.91 49.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.51 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 173.77 42.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 44.4 t0 -150.47 11.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.1 mtt180 -91.97 178.38 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.0 t -108.14 18.97 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.63 84.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.568 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -47.47 -36.01 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.256 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.59 58.21 13.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.629 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.73 139.99 26.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.8 t-80 -126.21 13.58 7.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.621 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.515 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -37.79 126.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.529 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.6 OUTLIER -167.81 153.14 6.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.533 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.97 47.61 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.1 tttp -178.54 -17.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -98.67 -45.08 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 58.9 m -55.34 -55.03 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.6 m-80 -61.27 -12.78 14.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.402 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 19.7 t-20 -92.84 -31.46 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.629 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.6 -25.95 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.23 24.81 2.87 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.589 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.9 m -121.2 169.6 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.502 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.3 t -113.32 133.18 55.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 108.217 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 37.9 t80 -96.79 117.34 30.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.566 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -76.07 -83.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 86.62 -23.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 4.3 mtp180 -65.09 -44.41 88.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.488 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.66 106.78 39.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -2.03 11.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.23 -5.96 65.16 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.562 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.89 -176.53 0.42 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 118.63 5.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.459 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.59 30.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 8.7 t -166.75 106.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.412 1.07 . . . . 0.0 108.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.615 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -145.4 -169.53 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.555 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -124.33 69.9 52.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.699 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.97 -94.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.501 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -99.32 37.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.553 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.5 mm100 -51.75 -19.51 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.5 pt-20 -42.54 -23.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.08 -68.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.88 21.3 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.432 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.2 OUTLIER -99.31 -54.83 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.264 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.427 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 7.0 t -60.29 -37.27 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 1' ' 50' ' ' LYS . 17.3 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' 1' ' 3' ' ' TYR . 2.6 mt-10 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.416 ' O ' HG23 ' 1' ' 4' ' ' VAL . 1.3 mp0 -68.07 68.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' 1' ' 1' ' ' GLU . 2.7 m-85 -52.66 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.416 HG23 ' O ' ' 1' ' 2' ' ' GLU . 2.4 m -104.09 -47.98 10.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' 1' ' 10' ' ' GLN . . . -72.42 2.22 31.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -130.69 7.65 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 0.801 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.475 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 0.4 OUTLIER -106.98 -171.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.481 ' HA ' ' CG ' ' 1' ' 52' ' ' LEU . . . -55.76 87.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 164.84 -29.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.524 ' O ' HG21 ' 1' ' 13' ' ' VAL . 12.5 tt0 -66.96 -31.71 72.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.64 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 47.8 t -63.42 -5.82 4.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.07 20.03 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.565 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.1 OUTLIER -44.41 168.0 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.517 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 4.34 4.84 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.554 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 84.83 56.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.501 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 169.32 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.565 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 35.6 t70 -151.36 11.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.629 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 5.5 mtt180 -92.04 170.86 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.3 t -104.16 19.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.71 88.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.518 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -50.56 -37.35 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.15 60.75 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.46 145.64 31.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 111.043 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -9.31 20.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -125.19 23.62 7.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.607 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.564 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -47.92 125.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.464 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -167.22 155.33 8.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.578 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 54.75 3.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.26 -20.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -100.14 -44.56 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.0 m -56.6 -51.77 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -69.42 -2.32 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 49.3 t-20 -105.14 -27.46 11.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.569 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.5 -23.88 27.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.45 26.69 2.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 39.5 m -119.88 -177.34 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.547 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.7 t -128.88 124.71 35.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 78.5 t80 -88.28 121.42 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.0 t70 -89.76 -84.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.0 -15.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.935 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -61.32 -46.47 90.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.554 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.54 115.69 32.33 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.526 1.142 . . . . 0.0 109.338 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -6.68 18.32 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -4.72 61.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -118.63 -179.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.02 117.21 4.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.93 28.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 43.5 t -171.74 111.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.646 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -149.11 -170.56 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.597 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.08 14.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.646 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.92 -97.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.481 ' CG ' ' HA ' ' 1' ' 8' ' ' ALA . 0.7 OUTLIER -92.18 31.55 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.597 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.9 mm100 -53.92 -20.92 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.424 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.91 -26.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.67 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 3.5 mt-10 -124.38 24.62 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.423 ' HA ' ' NZ ' ' 2' ' 50' ' ' LYS . 3.2 t -105.52 -54.33 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -82.31 -29.93 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.77 59.56 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -90.81 83.99 5.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.45 -54.29 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.42 ' O ' ' CD ' ' 2' ' 10' ' ' GLN . . . -70.1 -1.5 34.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.488 ' HA ' ' NE2' ' 2' ' 10' ' ' GLN . 0.1 OUTLIER -130.65 11.75 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 0.726 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.93 -156.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.532 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -66.37 87.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 164.11 -29.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.488 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 14.0 tt0 -64.87 -31.77 73.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.671 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 41.4 t -70.69 -0.9 9.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -120.62 9.86 10.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.551 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.46 168.04 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.551 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.6 Cg_endo -74.85 27.96 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.517 ' CB ' HG23 ' 2' ' 45' ' ' VAL . . . 49.75 67.21 0.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.33 38.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.41 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 21.6 t70 -160.58 15.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.584 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 11.7 mtt180 -90.95 171.6 9.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.2 t -98.2 14.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 34.51 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -51.37 -36.84 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 108.302 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.25 59.63 8.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.647 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.18 139.9 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.61 0.829 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.528 ' CD2' ' OE2' ' 2' ' 30' ' ' GLU . 0.1 OUTLIER -125.6 13.37 8.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.64 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.53 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -38.97 126.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.51 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -168.75 155.23 6.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.43 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.51 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.99 47.87 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER -179.09 -15.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.528 ' OE2' ' CD2' ' 2' ' 25' ' ' HIS . 1.2 mt-10 -100.98 -45.64 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.4 m -55.68 -55.25 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -61.9 -12.43 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -93.46 -30.18 15.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.647 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.89 -25.15 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.334 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.99 24.2 3.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.6 m -121.71 171.96 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.0 t -117.15 129.2 55.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 108.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 67.8 t80 -93.41 121.13 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 21.9 t70 -88.49 -83.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 89.06 -17.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -62.1 -43.07 99.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.502 ' CD1' ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -122.09 109.31 33.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -4.96 16.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -6.68 64.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.556 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.0 -176.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.556 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.03 118.28 5.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 29.47 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.028 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.526 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 12.5 t -168.79 105.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.639 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.53 -167.77 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -120.74 69.77 17.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.671 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.95 -97.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.575 ' CD2' ' C ' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.2 34.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.563 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.9 mm100 -49.84 -20.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.4 pt-20 -37.5 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.3 -59.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.37 15.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.71 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.428 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 13.9 t -54.08 -45.74 71.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.507 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.574 ' HB3' ' CE1' ' 1' ' 3' ' ' TYR . 1.6 tp10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.42 66.66 6.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' 1' ' 1' ' ' GLU . 22.3 m-30 -85.2 74.31 10.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.409 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 46.4 t -125.92 -56.44 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -68.77 3.66 6.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -146.77 24.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.793 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.458 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 1.6 t -105.05 155.82 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.52 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -59.23 85.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 175.3 -32.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' 1' ' 5' ' ' GLY . 19.5 tt0 -59.5 -33.43 71.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.661 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 41.1 t -64.41 -8.31 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -104.61 13.6 31.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -39.98 162.33 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.487 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 29.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.557 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 49.47 72.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 163.67 51.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 37.0 t0 -166.58 -25.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.654 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 14.4 mtt180 -49.89 -179.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 21.7 t -114.97 19.75 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 33.38 87.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.1 -35.84 17.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.148 . . . . 0.0 108.315 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.45 60.69 7.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.642 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.38 140.42 24.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -6.75 18.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -122.04 13.17 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.581 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.542 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -36.83 128.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.05 153.27 7.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.405 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 51.94 2.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.23 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -96.41 -44.55 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.2 m -55.99 -50.93 69.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -69.56 -1.63 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.5 t-20 -105.3 -29.05 10.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.642 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.22 -24.73 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.43 25.37 2.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 33.8 m -119.93 179.79 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.3 t -125.29 124.0 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 61.4 t80 -89.39 122.03 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.3 t70 -90.34 -83.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.596 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -16.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -58.56 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.557 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.5 OUTLIER -119.67 124.25 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.83 21.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.97 -10.07 65.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.168 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.56 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.11 170.26 5.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.56 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.48 29.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.563 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 13.9 t -170.23 103.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.654 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -142.87 -171.8 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.573 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 70.71 24.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.661 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.97 -98.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.83 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.52 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -93.55 34.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.573 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 47.7 mm-40 -55.05 -23.32 19.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -40.6 -26.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.98 -71.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.44 27.41 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.411 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.9 t -106.18 -57.91 1.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -71.78 -49.25 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -90.08 74.64 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -89.96 77.86 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 95.1 t -118.31 -47.92 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.42 ' O ' ' CD ' ' 2' ' 10' ' ' GLN . . . -72.04 3.11 22.76 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.554 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -131.85 9.31 4.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.26 -162.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.506 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -63.34 84.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER 169.09 -31.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 13.8 tt0 -62.95 -31.36 72.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.686 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 39.7 t -64.45 -7.78 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 108.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -106.83 11.14 30.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.7 OUTLIER -40.33 160.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.5 ' N ' HG12 ' 2' ' 13' ' ' VAL . 18.5 Cg_endo -74.99 29.82 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.516 ' HB3' ' CD1' ' 2' ' 42' ' ' ILE . . . 51.48 67.8 0.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.2 OUTLIER 168.46 38.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.459 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 11.5 t70 -159.47 13.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.564 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.7 mtt180 -89.97 -179.29 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 26.1 t -112.49 20.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.88 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.2 -34.45 57.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 108.294 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.95 56.45 23.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.412 ' CE1' ' NE ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.72 142.14 28.98 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -11.36 21.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -123.42 30.29 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.564 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.513 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -49.31 116.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.549 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -166.91 154.79 8.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 50.27 2.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.8 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -99.17 -45.19 5.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 110.208 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 15.1 m -62.81 -55.94 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.342 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.81 -6.66 6.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -101.87 -29.42 11.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.448 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -31.65 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.517 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 128.5 24.04 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.515 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 75.6 m -120.54 166.77 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.471 ' N ' ' OE1' ' 2' ' 53' ' ' GLN . 4.1 t -113.82 128.64 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.549 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 45.6 t80 -93.82 120.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.581 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -82.7 -83.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.581 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 85.5 -22.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.412 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 8.3 mtp85 -65.41 -42.61 92.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.516 ' CD1' ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -120.88 106.87 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.24 -6.37 64.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.591 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.63 -175.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.591 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 118.91 5.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.13 27.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.013 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 28.9 t -168.23 104.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.28 -168.16 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' 1' ' 59' ' ' PHE . 0.0 OUTLIER -125.86 68.51 62.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.686 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.98 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -98.28 38.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.55 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 21.1 mm100 -47.22 -20.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -37.38 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.31 -70.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -131.69 17.95 4.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.07 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.55 -77.27 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.434 ' HB ' ' CB ' ' 1' ' 58' ' ' THR . 6.0 t -40.35 -41.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -90.03 -128.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -91.95 62.47 4.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.29 -54.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' 1' ' 6' ' ' LEU . . . -68.47 0.61 12.06 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -140.65 26.22 2.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 0.712 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.464 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 58.3 p -102.38 165.9 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.474 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -69.22 -5.34 22.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.63 -11.45 34.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -65.29 -39.95 93.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.646 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 51.2 t -74.56 0.45 14.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 108.254 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -106.28 9.25 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' 1' ' 15' ' ' ALA . 0.5 OUTLIER -40.07 159.65 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.413 ' O ' ' HG2' ' 1' ' 16' ' ' LYS . 18.1 Cg_endo -75.09 30.33 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.522 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 48.45 73.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 163.07 51.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 10.4 t70 -167.15 -25.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.0 mtt180 -47.48 176.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 5.0 t -110.63 20.95 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.57 91.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.23 -34.89 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 108.332 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.21 55.24 31.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.089 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.41 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.38 140.77 27.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -6.48 18.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.19 43.35 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.624 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.494 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -61.15 120.45 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.04 153.04 7.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.59 4.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER 179.35 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -96.6 -46.11 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.203 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 2.3 m -63.59 -56.29 17.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.516 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -62.4 -7.11 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.7 t30 -105.24 -26.31 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.53 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -86.7 -25.69 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.515 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.14 22.51 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.53 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 78.7 m -119.44 177.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -124.63 124.68 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.257 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 57.3 t80 -90.37 119.91 31.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.13 -83.9 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 85.63 -22.96 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.95 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -65.87 -43.15 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.522 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 1.1 mt -121.34 107.74 36.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -4.77 15.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.49 -6.92 67.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.607 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.1 m -120.84 -175.13 0.33 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.607 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 122.98 7.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.494 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -93.97 25.48 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 43.6 t -167.7 104.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.662 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -141.04 -170.07 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.612 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.66 69.59 45.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.646 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.99 -97.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -91.99 32.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.612 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.3 mm100 -52.66 -19.89 2.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.4 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.31 23.97 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.33 -54.81 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.475 ' HA ' ' CD ' ' 2' ' 53' ' ' GLN . 0.9 OUTLIER -90.11 -13.05 36.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 1' ' 58' ' ' THR . 5.8 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -89.88 68.96 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -90.98 89.61 7.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.426 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 1.4 p -134.51 -56.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.412 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -67.35 2.28 5.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.147 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.426 ' H ' ' C ' ' 2' ' 4' ' ' VAL . 0.0 OUTLIER -150.42 23.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 0.805 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.449 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -107.89 149.26 28.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.997 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -60.65 83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.3 OUTLIER 172.15 -30.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.546 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -59.8 -32.27 70.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.675 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 48.8 t -70.2 -7.3 40.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.317 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -101.8 8.36 41.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -38.49 157.47 0.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.486 ' N ' HG12 ' 2' ' 13' ' ' VAL . 18.6 Cg_endo -75.01 30.01 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.544 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 50.63 65.67 1.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 167.37 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.488 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 11.8 t70 -158.88 13.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.3 mtt180 -91.5 -178.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.9 t -111.34 19.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 32.62 87.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.62 -33.28 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 108.283 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.55 61.97 1.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.606 ' CE2' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.91 148.02 37.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.96 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.74 17.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.24 15.51 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.492 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -42.77 121.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.416 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.3 OUTLIER -163.95 158.51 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.415 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.466 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.97 48.16 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.426 1.751 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.416 ' N ' HG22 ' 2' ' 27' ' ' THR . 1.7 tttp -179.88 -22.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -93.49 -43.36 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.492 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.8 m -55.43 -57.54 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -60.09 -15.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.517 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 6.9 t30 -85.07 -36.37 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.606 ' CD ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -80.82 -24.56 38.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.6 19.16 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.2 m -107.31 178.39 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -124.63 125.25 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 56.6 t80 -88.83 122.62 32.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -87.14 -82.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 84.21 -23.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 110.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 10.9 mtp180 -62.78 -41.43 99.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.544 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.41 107.51 34.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.65 -7.68 64.59 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.604 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.1 m -121.1 -175.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.604 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.99 117.5 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 111.036 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.537 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.1 28.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.52 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 19.5 t -171.27 108.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.0 -169.16 2.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.565 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.55 67.96 29.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.675 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.6 Cg_endo -74.98 -96.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -102.2 41.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.615 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -41.87 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -43.12 -23.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.07 -62.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 3.4 tt0 -149.12 19.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -69.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.1 t -51.65 -43.32 62.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 16.7 mt-10 -74.57 73.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.454 ' CB ' HD11 ' 1' ' 6' ' ' LEU . 17.7 m-85 -56.29 82.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.5 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 21.1 m -128.08 -52.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.41 ' N ' ' CG2' ' 1' ' 4' ' ' VAL . . . -69.6 -1.43 30.19 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.468 ' C ' ' OE1' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -127.84 -0.81 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -110.51 179.04 4.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.728 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -38.28 134.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.728 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.7 OUTLIER 105.39 -32.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.678 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.9 OUTLIER -57.09 -40.85 77.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.623 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 42.1 t -59.75 -10.43 3.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 108.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' 1' ' 10' ' ' GLN . . . -98.29 17.35 18.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.552 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -48.3 166.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.552 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 28.45 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' 1' ' 13' ' ' VAL . . . 47.07 66.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.88 37.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.415 ' HB3' HG23 ' 1' ' 13' ' ' VAL . 19.0 t70 -161.47 16.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.599 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 13.8 mtt180 -90.15 168.51 11.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -96.3 17.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.84 88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -51.81 -36.51 48.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.88 60.77 4.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.47 145.56 31.58 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.06 21.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -118.28 10.8 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.586 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.525 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.3 p -36.05 126.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.27 154.75 9.85 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 53.43 3.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.1 -22.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -95.45 -43.48 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.2 m -56.03 -53.3 58.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -66.17 -5.64 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.1 t-20 -99.81 -30.85 11.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.615 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.88 -22.96 33.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.42 25.88 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 24.2 m -118.51 -179.38 3.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 2.6 t -126.72 121.76 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 108.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 69.2 t80 -87.96 121.15 30.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.8 t70 -89.82 -84.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.623 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 89.69 -16.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -62.35 -42.54 99.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.6 109.54 34.39 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.38 -5.96 61.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.551 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.93 -176.55 0.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.551 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 116.31 4.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 29.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.8 t -171.25 110.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.599 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.25 -169.66 3.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.509 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.19 71.82 17.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.678 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.2 Cg_endo -75.01 -102.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -91.69 34.86 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.509 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.3 mm-40 -52.19 -19.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.1 OUTLIER -40.71 -26.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.1 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.426 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 6.5 mt-10 -124.41 25.63 7.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.28 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.5 t -103.95 -64.18 1.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.452 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -61.17 -28.75 69.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' 2' ' 4' ' ' VAL . 1.5 tp10 -88.42 -132.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.438 ' CD2' ' HG2' ' 2' ' 2' ' ' GLU . 7.2 p90 -66.69 62.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 70.8 t -122.67 -50.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.434 ' O ' ' OE1' ' 2' ' 10' ' ' GLN . . . -71.63 1.24 30.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.437 ' CD2' ' C ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -130.71 8.04 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.478 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 1.2 p -106.95 -160.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.938 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -59.37 83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 168.52 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.217 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.469 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 21.7 tt0 -65.52 -30.81 71.62 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.682 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 44.1 t -67.99 -3.24 9.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.291 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -115.42 12.11 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.531 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.57 166.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.531 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -75.02 27.49 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.509 ' HB2' ' CG1' ' 2' ' 45' ' ' VAL . . . 50.22 69.92 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 169.86 39.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.425 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 19.0 t70 -160.75 13.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.575 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 10.0 mtt180 -91.36 172.63 8.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -100.24 16.37 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 34.05 83.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.546 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.69 -34.52 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.76 61.53 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.088 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.616 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.58 144.25 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 0.814 . . . . 0.0 110.941 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.09 19.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.9 m80 -120.9 10.76 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.632 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.519 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 2.1 p -35.81 123.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.48 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.1 154.35 8.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.48 ' N ' HG22 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.11 2.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 14.7 tttt -178.09 -18.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -100.06 -44.67 5.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.519 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.4 m -55.78 -55.27 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -62.01 -12.57 19.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.09 -28.14 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.616 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.78 -25.15 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 118.26 24.27 3.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 47.9 m -121.87 170.22 10.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.513 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -116.17 128.57 55.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 51.0 t80 -96.24 118.32 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.2 t70 -84.77 -80.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.85 -15.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -66.81 -40.66 88.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.496 ' CD1' ' HB1' ' 2' ' 15' ' ' ALA . 1.2 mt -121.89 108.18 35.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -3.9 14.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.22 -7.19 62.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.08 -177.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.416 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.51 28.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 107.986 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.7 t -169.68 107.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.658 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -146.6 -168.32 2.99 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.51 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 70.57 21.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -95.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.831 . . . . 0.0 111.04 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -99.38 40.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.51 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.5 mm-40 -56.37 -13.27 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -51.6 -17.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -33.82 -67.81 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . 0.47 ' HA ' ' CD1' ' 2' ' 59' ' ' PHE . 34.9 mt-10 -138.76 11.4 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -89.34 -61.17 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.409 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 4.9 t -61.34 -25.66 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.05 -123.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -91.6 66.32 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 11.9 p -131.17 -47.84 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -69.49 -1.65 30.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.479 ' C ' ' CD2' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -136.17 17.89 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.326 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.494 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 8.4 t -106.83 153.47 22.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.514 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -65.05 71.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -167.71 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -58.31 -34.56 70.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.666 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 41.4 t -65.02 -7.62 12.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -109.37 16.42 22.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.504 ' C ' ' H ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -41.01 165.23 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.493 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.02 28.32 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 50.48 70.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.09 51.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 20.6 t70 -165.54 -25.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.652 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.1 mtt180 -46.09 174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 98.0 t -110.28 19.04 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.13 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -55.77 -34.53 65.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.356 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.0 55.77 28.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.554 1.159 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.401 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.61 142.24 27.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 -9.95 21.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -127.92 40.52 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.486 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.1 p -58.07 118.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -169.35 154.61 5.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 57.92 4.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.1 ttpm? -179.2 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.9 OUTLIER -98.18 -46.49 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -64.32 -55.14 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.493 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -63.87 -5.16 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.2 t30 -106.7 -27.49 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.358 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.532 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.86 -30.34 22.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 128.24 22.91 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.532 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 75.3 m -120.76 174.57 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.49 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.1 t -120.9 125.58 47.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.41 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.8 t80 -91.12 120.72 32.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.8 t70 -87.21 -84.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.63 -16.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -62.06 -46.62 88.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.525 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -120.74 116.86 31.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.22 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.56 20.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.97 -3.64 65.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.529 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.02 -179.74 0.73 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.529 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 119.63 5.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.769 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.3 25.22 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' CG2' ' 1' ' 26' ' ' VAL . 44.7 t -169.22 110.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 108.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.652 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -145.86 -169.97 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.58 70.38 46.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.666 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -92.38 34.63 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.571 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.4 mm100 -50.36 -25.67 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.507 ' HA ' ' H ' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -35.33 -30.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.26 -64.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.57 8.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' HB2' ' C ' ' 1' ' 53' ' ' GLN . 0.8 OUTLIER -92.79 -90.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 108.256 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.507 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 1.2 t -43.88 -27.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.471 ' C ' ' O ' ' 1' ' 58' ' ' THR . 32.0 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.29 72.66 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.252 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.42 ' O ' ' OG ' ' 2' ' 7' ' ' SER . 6.3 m-85 -90.59 90.32 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.481 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -121.31 -62.34 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.436 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -69.21 7.85 3.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' 2' ' 4' ' ' VAL . 0.4 OUTLIER -154.65 24.72 0.45 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.526 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 0.2 OUTLIER -84.24 166.13 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.427 ' HA ' ' CG ' ' 2' ' 52' ' ' LEU . . . -64.71 -6.35 7.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -15.17 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.526 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -59.32 -39.58 83.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.59 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 14.9 t -74.17 0.34 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.75 14.3 18.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.563 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -51.17 164.6 0.45 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 29.1 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.519 1.8 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.499 ' H ' ' C ' ' 2' ' 13' ' ' VAL . . . 44.17 59.95 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.57 33.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.405 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 13.9 t70 -161.66 20.4 0.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 17.4 mtt180 -89.71 175.51 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 47.0 t -105.29 19.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 32.61 90.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.576 ' HB2' ' HA ' ' 2' ' 49' ' ' PHE . 5.1 t -51.14 -36.72 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.355 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.59 84.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.56 138.54 41.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -8.43 20.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.576 1.83 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.67 24.52 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.569 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.572 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.8 OUTLIER -43.71 116.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.489 ' HA ' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER -165.33 153.46 10.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.437 ' N ' HG22 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.08 51.66 2.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.8 tttt -175.44 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -98.27 -44.07 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.572 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.3 m -61.89 -56.5 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 108.343 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.74 -5.32 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.2 t30 -103.57 -27.44 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.509 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -88.23 -31.04 19.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.76 22.48 1.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.514 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.0 m -120.16 172.88 7.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.438 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.6 OUTLIER -120.49 126.38 50.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 108.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' 2' ' 27' ' ' THR . 30.7 t80 -91.78 123.78 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.5 t70 -88.47 -83.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 87.88 -15.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -68.86 -41.87 77.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.45 ' CG2' HG12 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -120.73 111.81 34.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.28 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.57 -3.52 62.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.516 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER -119.67 -179.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 117.16 4.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.89 26.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.564 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 33.0 t -171.38 102.67 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 108.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -136.54 -169.42 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.423 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 67.18 31.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.7 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.93 -91.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.449 1.762 . . . . 0.0 111.05 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.591 ' CD1' ' C ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -105.36 26.14 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -48.97 -20.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.473 ' N ' ' NE2' ' 2' ' 53' ' ' GLN . 0.3 OUTLIER -38.63 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -36.98 -72.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 10.5 pt-20 -116.7 18.65 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -102.9 -54.94 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 108.278 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.457 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 0.7 OUTLIER -76.47 -41.45 47.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.411 1.069 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 0.3 OUTLIER -88.59 77.07 8.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 110.35 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -51.66 83.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 26.1 t -131.12 -55.77 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.34 -1.68 29.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.439 ' HA ' ' NE2' ' 1' ' 10' ' ' GLN . 0.0 OUTLIER -134.03 13.78 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.241 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.47 -152.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.083 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -67.3 82.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER 166.76 -29.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.509 ' O ' ' HB ' ' 1' ' 13' ' ' VAL . 11.5 tt0 -61.58 -35.95 79.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.676 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 31.5 t -65.69 -4.8 6.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 108.311 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.422 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.92 11.28 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.645 1.215 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.541 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.45 166.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.541 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.09 28.22 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.523 ' HB3' ' CD1' ' 1' ' 42' ' ' ILE . . . 45.74 62.54 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.28 35.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.45 ' HB3' HG22 ' 1' ' 13' ' ' VAL . 31.7 t0 -161.16 16.86 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.1 mtt180 -87.93 -176.47 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.0 t -113.24 22.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.543 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 29.2 87.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -49.61 -33.6 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 56.7 19.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.522 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -89.77 140.41 27.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 111.04 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -6.04 17.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 37.46 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.482 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 0.9 OUTLIER -57.46 121.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.64 153.01 10.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.435 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.571 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 55.01 3.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.4 tttt 178.82 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.52 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -93.88 -46.4 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.482 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.16 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -60.06 -7.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.5 t30 -106.12 -25.95 11.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.55 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -26.24 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 124.55 21.14 2.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.553 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 92.6 m -120.36 171.09 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.558 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.4 t -118.66 127.74 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.571 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 31.9 t80 -89.69 124.72 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 42.3 t0 -81.18 -86.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.8 t 87.84 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 11.0 mtp85 -65.26 -40.97 94.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.523 ' CD1' ' HB3' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -120.82 102.91 43.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.376 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -3.8 14.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.24 -5.09 64.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.102 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.595 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.44 -175.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.595 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 119.98 5.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.484 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -92.57 29.9 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.56 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.6 t -168.5 102.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 108.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.685 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -135.72 -169.61 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.609 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.87 67.69 42.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.98 -98.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.816 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.571 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.04 33.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.609 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.4 mm-40 -58.1 -26.01 62.06 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -41.44 -25.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.16 -64.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -134.5 24.56 3.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -103.72 -55.17 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 108.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.583 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.3 t -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' 1' ' 58' ' ' THR . 18.8 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.86 -118.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -90.9 75.52 6.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 t -130.59 -52.53 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.465 ' C ' ' CD1' ' 2' ' 6' ' ' LEU . . . -69.55 1.05 15.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.58 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -139.2 14.16 2.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.452 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 53.1 p -106.84 151.95 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.489 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -57.68 87.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 172.77 -31.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 7.2 tt0 -60.05 -31.2 69.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.682 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 33.7 t -65.89 -8.31 21.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.29 14.88 30.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.503 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -45.57 164.84 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.458 ' HD2' HG23 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -75.06 28.2 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.513 ' HB2' ' CD1' ' 2' ' 42' ' ' ILE . . . 49.97 65.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.44 ' O ' ' CE ' ' 2' ' 16' ' ' LYS . 0.0 OUTLIER 174.35 37.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.43 ' HB3' HG23 ' 2' ' 13' ' ' VAL . 16.7 t70 -158.3 14.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.1 mtt180 -89.76 177.27 6.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.4 t -108.84 20.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.9 89.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.4 OUTLIER -52.5 -32.87 42.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 54.88 31.01 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.62 139.88 29.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.779 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -9.41 20.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -123.13 28.03 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.52 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -47.45 119.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.439 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -169.57 154.65 5.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.472 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 51.38 2.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -174.36 -23.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -98.29 -45.76 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 26.6 m -62.79 -56.2 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 108.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.48 -5.84 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 18.4 t30 -103.99 -28.86 11.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.52 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -87.13 -29.99 21.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.5 1.48 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.0 m -121.18 168.8 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.1 t -114.72 129.03 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 108.371 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.484 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 50.5 t80 -93.83 119.22 32.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -81.16 -83.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.579 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.77 -23.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 0.1 OUTLIER -65.19 -42.14 93.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.513 ' CD1' ' HB2' ' 2' ' 15' ' ' ALA . 1.2 mt -120.54 106.57 39.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 -5.89 63.01 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.586 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.29 -175.76 0.37 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.586 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.08 118.76 5.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.506 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.38 27.68 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.052 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 35.1 t -168.63 104.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -168.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.94 69.16 57.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.5 Cg_endo -74.96 -94.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -98.79 40.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.541 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.2 mm100 -55.47 -17.13 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.555 ' N ' ' HG1' ' 1' ' 58' ' ' THR . 23.6 mt-10 -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -38.31 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -133.68 26.97 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.02 -66.43 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.468 HG21 ' CB ' ' 2' ' 54' ' ' GLU . 10.2 t -60.29 -38.5 83.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 1.1 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.7 mp0 -87.18 76.82 9.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -43.38 91.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 1.2 m -103.23 -47.3 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.464 ' C ' ' CD1' ' 1' ' 6' ' ' LEU . . . -69.48 -1.84 31.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -119.63 -7.4 10.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.433 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 35.0 p -111.22 -138.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.564 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -40.57 142.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.223 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 87.25 -32.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -64.9 -40.7 95.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.679 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 22.5 t -68.35 -4.36 14.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -112.5 13.94 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.502 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -42.38 166.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.1 Cg_endo -75.09 28.74 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.515 ' HB3' ' CG2' ' 1' ' 45' ' ' VAL . . . 51.6 70.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 167.84 39.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.447 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 18.1 t0 -158.66 11.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 10.3 mtt180 -90.49 174.31 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -109.31 21.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.9 89.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -51.41 -33.4 30.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.306 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.99 57.78 15.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.447 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 143.56 29.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -9.83 20.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -130.36 44.68 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.496 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -61.71 120.91 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -168.96 153.84 5.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.528 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.04 58.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.8 OUTLIER 179.38 -26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -97.25 -46.31 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.4 m -64.04 -56.33 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -62.08 -7.47 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.8 t30 -105.99 -25.15 12.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -87.91 -25.65 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.505 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.34 21.74 2.45 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.617 1.198 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 77.8 m -120.52 175.24 6.09 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.563 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.54 124.95 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 108.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.9 t80 -91.04 122.46 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.5 t70 -90.31 -83.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.13 -16.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.17 -56.36 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.492 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -113.4 126.57 27.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.47 20.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.557 1.819 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.72 -9.14 66.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.568 1.168 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.565 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.8 169.51 6.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.554 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.03 28.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.002 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 37.9 t -170.99 103.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 108.252 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -139.42 -169.34 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.35 68.65 29.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.679 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.13 -97.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.407 1.74 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -92.85 32.04 1.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.2 mm-40 -56.19 -22.4 28.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.437 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.93 -25.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.17 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.2 OUTLIER -124.94 26.01 7.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.27 -57.81 2.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 108.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -67.34 -38.66 85.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -88.31 -127.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.473 ' CG ' HD23 ' 2' ' 6' ' ' LEU . 5.3 m-85 -86.56 81.16 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.18 -52.59 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.422 ' O ' ' OE1' ' 2' ' 10' ' ' GLN . . . -69.84 -0.77 28.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.494 ' HA ' ' NE2' ' 2' ' 10' ' ' GLN . 0.0 OUTLIER -134.87 14.35 3.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.45 -160.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -64.85 86.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 165.07 -28.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.505 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 12.9 tt0 -64.57 -31.3 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.658 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.4 t -71.12 -1.83 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -119.75 8.59 11.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.55 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.03 167.84 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.55 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.99 27.12 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.797 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' 2' ' 13' ' ' VAL . . . 51.82 68.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 173.48 37.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.404 ' HB3' HG23 ' 2' ' 13' ' ' VAL . 8.9 t70 -158.16 13.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -91.48 171.93 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 16.6 t -101.06 18.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.46 85.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.532 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -50.94 -36.95 41.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 60.74 6.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.44 141.11 25.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 111.022 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -125.71 13.75 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.522 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -39.01 125.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.49 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.88 155.21 7.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.502 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.02 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.3 tttp -178.35 -15.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.9 OUTLIER -101.27 -45.35 5.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.1 m -56.1 -54.77 41.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -63.06 -11.41 19.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.466 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 32.7 t-20 -95.59 -27.36 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.75 -26.05 23.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.494 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.12 25.43 2.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 53.8 m -122.41 175.69 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -120.62 128.29 52.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 108.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 70.8 t80 -92.78 120.74 33.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -89.46 -82.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 86.98 -15.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.032 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -43.1 94.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.479 ' CD1' ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.51 111.16 33.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -6.64 18.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.74 -6.18 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.615 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.4 m -121.14 -178.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.225 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.615 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.5 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.419 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.61 27.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 20.2 t -169.39 105.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.661 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -144.11 -168.43 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.55 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -119.85 69.53 13.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.661 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.02 -96.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.548 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -95.51 38.14 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.55 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 30.1 mm100 -55.09 -17.68 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 11.4 pt-20 -47.35 -21.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.44 -64.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.36 22.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.4 OUTLIER -101.84 -53.02 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.454 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 6.0 t -62.84 -41.75 99.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' 1' ' 3' ' ' TYR . 1.8 mp0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -86.18 45.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' 1' ' 1' ' ' GLU . 0.1 OUTLIER -90.26 64.98 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 66.6 t -126.46 -50.24 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.47 ' O ' ' CD1' ' 1' ' 6' ' ' LEU . . . -71.23 2.33 20.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.412 1.07 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -136.95 9.54 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.459 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 1.4 t -114.28 -155.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.617 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -44.8 143.2 1.49 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.617 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.6 OUTLIER 92.47 -32.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -58.93 -36.31 74.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.686 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 41.1 t -69.67 -1.61 9.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 108.365 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -106.44 9.94 31.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.555 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.23 166.54 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.555 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.06 28.5 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' 1' ' 13' ' ' VAL . . . 43.86 55.19 5.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.79 30.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.414 ' HB3' HG23 ' 1' ' 13' ' ' VAL . 22.9 t0 -157.65 18.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.5 mtt180 -87.68 173.11 9.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 33.6 t -101.7 19.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 29.51 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -48.26 -34.77 10.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 108.361 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.86 61.21 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.39 142.92 27.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 111.075 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.82 18.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.86 18.21 8.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.539 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.17 126.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -164.78 154.3 11.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.03 52.45 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.51 -21.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -95.52 -44.07 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.539 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.1 m -56.19 -52.01 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -67.44 -3.44 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.8 t30 -101.3 -33.45 10.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.93 -23.69 41.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.69 25.54 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 27.4 m -117.85 -178.6 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.8 t -127.71 123.68 36.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.605 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.3 t80 -87.84 122.39 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 12.7 t70 -90.65 -85.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 1.1 t 90.58 -19.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 40.7 mtm180 -57.83 -45.93 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -120.62 113.6 33.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.602 1.189 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.5 16.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.45 -3.91 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.564 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.26 -178.73 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.421 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.13 28.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.1 t -170.43 109.35 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -146.8 -170.86 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.53 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.84 72.16 21.74 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.686 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.07 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.459 ' HB2' ' C ' ' 1' ' 7' ' ' SER . 0.3 OUTLIER -94.26 35.5 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.53 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -55.32 -24.68 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.7 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.22 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.45 24.11 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 13.8 t -101.38 -74.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 108.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.47 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 9.2 t -58.91 -25.32 63.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.46 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.6 t80 . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -87.78 70.92 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.454 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 20.5 m-85 -88.54 71.32 8.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.7 -49.01 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.425 ' O ' ' CD ' ' 2' ' 10' ' ' GLN . . . -71.28 1.18 28.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.48 ' HA ' ' NE2' ' 2' ' 10' ' ' GLN . 0.0 OUTLIER -131.05 9.75 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.463 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 43.5 p -106.54 -164.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.057 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.478 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -59.33 84.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 167.53 -31.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.488 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 17.3 tt0 -64.57 -29.28 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.691 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 41.8 t -70.42 -2.25 13.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -117.81 10.99 13.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.55 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.92 167.79 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.55 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.6 Cg_endo -74.94 27.7 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 111.064 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.52 ' HB1' ' CD1' ' 2' ' 42' ' ' ILE . . . 48.71 65.7 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.404 ' O ' ' NZ ' ' 2' ' 16' ' ' LYS . 0.0 OUTLIER 175.82 36.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.43 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 6.8 t70 -159.64 15.44 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.1 mtt180 -90.72 172.32 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.522 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 58.8 t -99.99 18.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 30.51 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.1 -35.99 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 108.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 58.48 12.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.614 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -90.76 139.55 26.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.4 13.92 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.533 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -38.64 126.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.461 ' C ' ' CD2' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -166.07 153.64 9.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' 2' ' 29' ' ' LYS . 18.2 Cg_endo -75.08 47.42 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.448 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -178.85 -20.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -94.41 -45.63 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.2 m -54.58 -57.54 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.7 m-80 -58.48 -14.79 8.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -91.66 -31.14 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.614 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.64 -24.64 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 119.31 20.59 3.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.1 m -121.11 164.45 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.522 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -109.55 135.82 49.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CD2' ' C ' ' 2' ' 27' ' ' THR . 33.8 t80 -97.92 117.42 32.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.578 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.25 -83.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.578 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.06 -23.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -65.87 -43.81 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.52 ' CD1' ' HB1' ' 2' ' 15' ' ' ALA . 1.2 mt -119.92 106.01 42.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -3.32 13.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.7 -5.77 64.44 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.034 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.576 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.42 -176.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.576 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 120.15 5.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.489 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -94.4 30.03 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.594 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 5.8 t -165.92 104.59 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.603 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -145.0 -169.86 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' CD ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.77 70.3 27.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.691 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -100.19 42.53 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' OE1' ' CA ' ' 2' ' 36' ' ' CYS . 17.8 mm-40 -52.65 -15.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -45.97 -21.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -37.52 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.47 15.0 9.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -91.82 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 108.31 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.464 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 9.0 t -50.26 -36.86 33.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.465 ' C ' ' NE2' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.643 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.8 mt-10 -90.19 83.43 6.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 30.0 m-85 -35.34 85.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.643 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 85.2 t -133.5 -48.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.33 -1.74 37.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -130.93 6.75 4.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 0.702 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -174.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.537 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -73.25 -5.25 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.08 -3.11 26.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.533 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 11.9 pt20 -63.77 -40.4 96.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.684 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 15.6 t -61.27 -11.32 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.261 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -99.41 22.15 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -41.84 167.97 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 3.81 5.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.564 1.823 . . . . 0.0 111.027 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.509 ' CB ' ' O ' ' 1' ' 14' ' ' PRO . . . 83.95 48.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.321 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.475 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 176.98 45.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.526 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 56.9 t0 -155.32 11.93 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.3 mtt180 -92.69 176.13 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.3 t -108.7 20.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 33.83 91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.78 -34.36 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.54 57.07 21.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.48 144.02 30.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -12.49 21.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.431 1.753 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -127.81 44.46 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.591 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.479 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.0 OUTLIER -61.31 119.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.422 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -167.52 154.56 7.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.565 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.07 57.39 4.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 ttpt -179.46 -25.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -97.47 -46.59 6.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.479 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.4 m -64.29 -55.53 20.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.496 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -63.25 -5.52 3.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.5 t30 -106.5 -27.61 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -85.54 -30.17 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.06 23.42 1.29 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 73.7 m -120.96 174.87 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.581 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.8 t -121.4 126.54 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 53.2 t80 -91.47 120.78 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.588 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.01 -82.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.48 -23.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.444 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 11.3 mtm105 -63.21 -44.24 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.486 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -120.26 111.21 35.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.97 -7.87 19.59 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.513 1.796 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.37 -2.87 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.574 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.71 -178.31 0.57 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.525 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.21 5.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.485 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.26 27.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 107.966 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.7 t -169.55 107.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -142.44 -169.5 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.608 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 68.54 35.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.684 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.5 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.49 31.59 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.608 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.7 mm-40 -54.16 -19.19 4.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 2.9 pt-20 -41.52 -25.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.01 -71.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.493 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 10.5 mt-10 -124.11 21.9 8.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.48 -58.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.3 t -71.61 -35.15 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.7 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . 0.553 ' HG3' ' CD1' ' 2' ' 3' ' ' TYR . 0.7 OUTLIER -89.37 -131.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.553 ' CD1' ' HG3' ' 2' ' 2' ' ' GLU . 1.3 m-85 -75.97 75.2 2.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.466 ' O ' ' CG ' ' 2' ' 10' ' ' GLN . 16.6 m -128.98 -58.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' 2' ' 6' ' ' LEU . . . -68.41 4.29 5.15 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -150.61 28.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -105.72 168.83 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' 2' ' 52' ' ' LEU . . . -72.17 -2.35 18.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.94 -2.57 31.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.502 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -64.63 -41.71 95.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.658 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 46.5 t -69.67 -4.29 18.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.78 21.16 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -42.92 168.03 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 3.56 5.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.505 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 83.51 46.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.495 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 176.16 42.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 46.5 t0 -148.91 11.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.572 ' NH1' ' CG1' ' 2' ' 45' ' ' VAL . 5.6 mtt180 -91.74 175.22 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -107.05 18.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 33.9 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.27 -36.11 19.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.59 61.93 4.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.648 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -92.16 145.18 30.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 110.97 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -8.62 20.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -120.55 10.25 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.487 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -36.96 125.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.522 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.68 155.03 8.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.551 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 48.62 2.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER -179.02 -17.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 1.6 mt-10 -99.38 -44.78 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.487 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 61.4 m -55.4 -54.89 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 108.226 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -62.82 -11.03 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.89 -30.3 14.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.648 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.95 -25.72 25.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.19 24.83 2.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.7 m -120.86 169.12 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.4 t -114.17 129.95 56.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.551 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 52.8 t80 -94.97 118.46 31.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.6 t70 -84.94 -81.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 89.03 -18.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 6.9 mtp-105 -55.63 -60.91 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.505 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER -108.59 126.76 28.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.47 21.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.55 -8.41 64.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.572 ' CG1' ' NH1' ' 2' ' 18' ' ' ARG . 0.4 OUTLIER -106.41 169.09 7.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.542 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.18 29.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.591 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 10.0 t -169.99 103.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.667 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.2 -169.79 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.54 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -123.75 70.58 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.667 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.08 -93.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.499 ' CB ' ' O ' ' 2' ' 7' ' ' SER . 0.3 OUTLIER -101.57 37.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.519 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm100 -48.52 -21.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.46 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.362 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.53 -62.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 10.2 mt-10 -143.48 19.27 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.31 -56.41 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.343 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.427 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.3 t -64.94 -35.39 81.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.405 ' CG ' ' H ' ' 1' ' 2' ' ' GLU . 6.6 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.405 ' H ' ' CG ' ' 1' ' 1' ' ' GLU . 19.1 tt0 -88.69 36.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.68 80.23 5.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.29 -50.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' 1' ' 10' ' ' GLN . . . -71.67 4.61 14.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -131.5 -1.15 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.528 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 36.3 t -108.03 -151.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.621 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -59.36 137.16 58.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.621 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER 93.69 -22.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.564 ' HG3' ' N ' ' 1' ' 11' ' ' CYS . 0.0 OUTLIER -63.14 -31.73 72.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.669 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 44.1 t -68.95 -5.06 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 108.212 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.82 16.54 24.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -45.21 167.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 27.58 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' 1' ' 13' ' ' VAL . . . 49.39 65.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 174.54 37.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.437 ' HB3' HG23 ' 1' ' 13' ' ' VAL . 11.2 t70 -157.18 13.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.613 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.7 mtt180 -89.97 174.99 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.3 t -106.3 19.4 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 32.56 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.53 -35.21 19.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.46 60.94 4.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.628 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.29 143.16 27.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 111.074 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -126.18 16.82 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.505 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.28 127.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.03 156.34 9.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.456 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.09 52.8 3.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 175.53 -20.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -96.3 -44.19 7.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.1 m -55.48 -52.97 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -67.99 -2.32 7.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 14.8 t-20 -100.3 -34.76 9.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.628 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.89 -24.93 40.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.26 25.44 2.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.487 ' CA ' ' O ' ' 1' ' 49' ' ' PHE . 14.6 m -116.42 -177.31 3.15 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -128.49 122.41 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 108.226 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 75.0 t80 -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 25.3 t70 -89.8 -82.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.09 -17.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -61.9 -42.08 98.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.497 ' CD1' ' HB1' ' 1' ' 15' ' ' ALA . 1.1 mt -122.56 109.25 32.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.53 61.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.581 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.53 -176.38 0.41 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.365 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -74.84 116.39 4.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.403 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.09 28.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.045 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.6 t -169.68 108.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.75 -170.75 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.31 71.52 12.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.669 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.96 -98.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -92.94 36.07 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.546 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 55.0 mm-40 -57.79 -17.59 16.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.525 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.4 pt-20 -50.27 -19.41 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -35.96 -69.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.77 15.12 8.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' 1' ' 58' ' ' THR . 46.3 t -96.89 -89.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.525 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.3 t -32.03 -39.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' 1' ' 57' ' ' CYS . 5.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . 0.445 ' HA ' ' CE1' ' 2' ' 3' ' ' TYR . 6.0 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.69 -9.87 57.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' 2' ' 1' ' ' GLU . 6.4 p90 -92.29 84.1 5.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.405 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 13.7 m -138.09 -56.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.405 ' HA2' ' HG3' ' 2' ' 10' ' ' GLN . . . -66.92 -0.04 8.24 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.425 ' N ' ' CD1' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -151.9 24.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.486 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 30.1 t -108.0 146.8 31.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.487 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -57.14 85.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.3 OUTLIER 170.46 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.25 -27.88 68.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.628 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 44.5 t -73.62 -4.34 33.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.04 12.57 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.509 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -44.75 166.33 0.13 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.509 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 27.57 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.507 ' HB2' ' CG1' ' 2' ' 45' ' ' VAL . . . 49.16 64.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 176.55 36.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.475 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 23.4 t0 -158.02 14.5 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.9 mtt180 -90.26 174.85 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 15.8 t -104.69 21.39 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 29.71 85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.5 -33.43 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.53 59.51 5.3 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.56 1.162 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.87 142.25 27.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.982 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.43 16.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -121.43 9.82 10.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 109.632 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.472 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -37.0 124.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.425 HG21 ' N ' ' 2' ' 29' ' ' LYS . 0.3 OUTLIER -166.5 158.21 11.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.458 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 47.62 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER 178.8 -19.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -93.47 -45.47 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.472 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 68.7 m -54.04 -57.15 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.433 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.3 m-80 -60.97 -12.74 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -87.79 -36.06 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.659 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.74 -25.33 32.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.481 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.86 22.6 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.3 m -115.15 170.01 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.8 t -114.59 131.07 56.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 53.0 t80 -93.24 120.37 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.55 -83.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 85.14 -23.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.408 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 8.6 mtp180 -64.66 -42.34 95.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.49 ' CD1' ' HB1' ' 2' ' 15' ' ' ALA . 1.1 mt -120.67 106.89 39.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 -4.07 14.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.76 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -5.74 65.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.595 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.08 -175.96 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.595 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 111.05 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.529 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.54 26.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.08 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 11.4 t -167.48 106.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 108.261 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.34 -169.8 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 70.63 66.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.628 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.1 Cg_endo -75.0 -92.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -99.64 39.22 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.551 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.9 mm100 -50.6 -18.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.1 OUTLIER -42.65 -25.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.093 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.19 -70.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.88 17.69 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 t -93.41 -70.97 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 7.7 t -47.93 -38.35 16.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.691 ' N ' ' CE2' ' 1' ' 3' ' ' TYR . 19.9 mt-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -78.77 -8.13 58.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.691 ' CE2' ' N ' ' 1' ' 1' ' ' GLU . 3.8 p90 -92.69 70.24 4.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.44 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -118.43 -54.88 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.223 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.454 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -72.19 9.17 5.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.9 OUTLIER -143.59 15.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.28 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' 1' ' 3' ' ' TYR . 51.5 p -87.86 167.91 13.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.548 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -67.46 -8.58 34.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.417 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -90.1 -15.2 32.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -60.69 -39.92 90.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.67 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 22.0 t -68.66 -6.32 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.53 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -105.25 22.95 14.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.53 ' O ' ' O ' ' 1' ' 12' ' ' ALA . 0.0 OUTLIER -40.71 168.33 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.93 2.2 6.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.527 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 84.86 48.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.497 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 174.13 44.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.31 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.521 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 45.9 t0 -153.46 11.47 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.554 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 5.5 mtt180 -91.33 177.03 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' 1' ' 20' ' ' ASP . 2.7 t -111.45 18.83 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 35.88 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.64 -35.1 60.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.23 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.31 56.69 23.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' CE1' ' NE ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -91.36 142.74 27.32 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -13.29 21.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -123.5 36.41 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.527 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.49 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 0.8 OUTLIER -54.14 117.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.402 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -168.8 153.53 5.91 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 60.01 5.33 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.1 tttt 179.48 -27.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -97.93 -45.5 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 110.22 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.7 m -64.31 -54.72 28.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -64.84 -5.02 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.8 t30 -107.55 -26.0 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -86.69 -33.19 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.217 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 131.85 22.31 0.94 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.464 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 70.8 m -120.94 176.44 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.538 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.8 t -123.98 122.73 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 67.7 t80 -89.06 122.67 32.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.4 t70 -88.97 -84.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.31 -15.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -63.6 -45.99 87.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.527 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.82 115.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.38 19.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.52 -3.58 66.65 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.547 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -119.75 179.16 0.93 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.516 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 116.65 4.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.1 28.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.3 t -172.06 108.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -143.21 -168.73 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 111.048 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.557 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.12 69.31 28.79 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.67 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.95 -99.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.481 1.78 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.548 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -92.1 35.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.532 1.145 . . . . 0.0 109.17 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.557 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.2 mm-40 -57.44 -21.71 38.61 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.9 pt-20 -45.38 -22.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.12 -64.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.23 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.47 17.74 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.443 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -98.33 -87.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 108.294 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.5 t -38.3 -35.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 46.5 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -122.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.493 ' HA ' ' CD1' ' 2' ' 6' ' ' LEU . 5.0 p90 -90.87 76.64 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.44 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 57.5 t -129.4 -63.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.427 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -67.66 3.77 4.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.138 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER -152.81 28.24 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' 2' ' 52' ' ' LEU . 0.5 OUTLIER -88.97 173.19 8.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' 2' ' 52' ' ' LEU . . . -69.22 -3.81 15.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.18 -10.77 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -62.6 -34.97 78.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.64 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 52.0 t -73.7 -0.71 16.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.366 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -116.94 12.76 14.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.502 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.7 163.29 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 30.51 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.444 1.76 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.581 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 48.57 74.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 162.79 47.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 40.2 t0 -161.14 -31.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.693 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 16.0 mtt180 -44.19 170.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.0 t -107.03 22.1 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.32 88.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.596 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.4 t -49.03 -35.41 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 108.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.22 54.48 37.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.402 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -89.85 136.17 29.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -1.95 11.91 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 24.26 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.4 1.063 . . . . 0.0 109.587 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -46.74 124.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.471 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -170.81 156.31 4.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.584 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 49.0 2.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.2 OUTLIER -176.74 -18.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -99.23 -44.96 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.0 m -61.97 -57.72 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.0 -6.08 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 12.0 t30 -101.47 -29.5 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.503 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -87.25 -29.99 21.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.25 23.09 1.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.552 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.4 m -121.34 167.59 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.633 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -108.1 138.21 44.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.584 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.6 t80 -93.67 123.59 37.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 9.1 t70 -66.05 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 91.24 -9.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.16 -56.17 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.581 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -115.21 119.93 37.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.18 20.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -8.58 62.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.531 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -106.3 172.85 3.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.581 ' O ' ' CE1' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.05 116.66 4.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -88.16 29.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.966 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.596 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 2.6 t -168.32 93.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.238 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -134.08 -171.07 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.537 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -128.2 69.23 77.71 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -91.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -101.95 40.73 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.537 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 19.6 mm100 -51.03 -15.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -44.67 -22.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.25 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -35.21 -67.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.9 17.62 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.58 -73.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.49 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 9.0 t -48.67 -35.14 13.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.49 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' 1' ' 3' ' ' TYR . 3.8 pt-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -90.24 78.36 6.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.464 ' CD2' ' O ' ' 1' ' 1' ' ' GLU . 4.0 p90 -90.91 73.37 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 7.2 p -128.65 -56.23 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.501 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -71.15 8.53 4.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.422 1.076 . . . . 0.0 110.973 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' 1' ' 3' ' ' TYR . 0.3 OUTLIER -151.09 22.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.378 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' 1' ' 52' ' ' LEU . 3.2 p -84.58 167.98 15.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.053 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -66.98 -5.72 13.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.88 -9.23 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.501 ' HG3' ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -64.42 -37.82 88.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.633 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 45.0 t -74.16 -0.42 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 108.393 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -104.9 7.39 34.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -37.49 156.54 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.47 ' N ' HG12 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 29.37 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.521 ' HB2' ' CG1' ' 1' ' 45' ' ' VAL . . . 52.33 66.66 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 167.76 40.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.484 ' HB3' ' CG2' ' 1' ' 13' ' ' VAL . 40.0 t0 -160.65 12.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.248 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 16.6 mtt180 -90.53 176.35 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.8 t -107.16 20.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.516 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 31.79 87.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.506 ' SG ' ' CE ' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -49.47 -35.32 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.49 61.19 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.57 144.01 28.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 111.04 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -7.78 19.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.585 1.834 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 23.5 m-70 -122.72 14.38 10.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.697 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.527 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -38.83 126.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.32 154.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.475 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 51.51 2.79 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 177.93 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -95.45 -44.19 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.348 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 38.7 m -55.86 -52.98 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 108.375 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -66.3 -5.01 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.5 t-20 -100.14 -32.6 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.91 -22.96 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 0.0 110.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.45 26.22 2.95 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.484 ' CA ' ' O ' ' 1' ' 49' ' ' PHE . 23.7 m -118.73 -178.23 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -126.92 121.54 32.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 60.2 t80 -88.81 119.82 29.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.3 t70 -89.32 -81.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.596 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 85.23 -13.82 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -66.75 -40.91 88.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.516 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 1.2 mt -123.05 109.37 31.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.61 62.68 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.71 -176.17 0.4 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.97 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 27.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.492 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 36.3 t -170.42 109.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.83 -171.25 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.621 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.13 14.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.633 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -75.02 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -92.69 32.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.4 mm100 -53.58 -21.11 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.452 ' CA ' ' HB ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER -40.1 -26.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.59 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.72 21.95 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' CD ' ' 2' ' 53' ' ' GLN . 1.8 t -108.45 -52.2 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.482 ' HA ' ' NE2' ' 2' ' 53' ' ' GLN . 0.6 OUTLIER -57.71 -29.76 64.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.0 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -88.71 72.52 8.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.468 ' HA ' ' CD1' ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -90.68 63.08 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 30.4 m -121.06 -51.15 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.16 3.06 24.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -127.87 2.8 5.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 68.1 p -71.88 -177.5 2.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.086 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.506 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -73.78 -4.99 38.04 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.04 -5.97 29.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.554 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.8 OUTLIER -65.02 -40.49 94.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.702 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 16.1 t -63.61 -8.29 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -99.97 16.4 24.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -40.53 162.71 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.302 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 28.84 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.582 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 48.85 73.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.75 48.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.4 t0 -163.99 -26.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -48.06 179.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.215 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 23.4 t -113.94 19.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.2 OUTLIER 33.89 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -56.5 -32.91 65.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 108.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.47 56.95 19.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.59 137.28 28.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.11 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.96 21.83 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.445 1.09 . . . . 0.0 109.671 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.545 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -41.31 122.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.53 ' HA ' ' CE2' ' 2' ' 38' ' ' PHE . 0.6 OUTLIER -168.09 151.24 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.502 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 49.96 2.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -95.8 -43.88 7.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 36.0 m -61.42 -56.54 19.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.321 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -63.86 -6.41 5.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -101.84 -29.47 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -85.82 -30.58 22.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.98 22.85 1.51 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.537 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.7 m -119.82 174.65 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.554 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -122.3 126.05 47.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 108.268 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HA ' ' 2' ' 27' ' ' THR . 13.5 t80 -93.03 125.0 37.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.2 t70 -90.04 -80.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.92 -15.61 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.993 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.33 -59.08 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.582 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.2 OUTLIER -109.69 125.77 30.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -14.2 21.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.73 -10.01 65.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.575 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.14 170.0 6.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.22 28.86 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 107.947 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.8 t -171.91 99.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.265 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -133.98 -166.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.535 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.57 65.91 53.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.736 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.91 -99.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -96.83 40.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.656 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -42.4 -22.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 10.2 mt-10 -37.21 -29.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.72 -60.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.66 22.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.67 -54.12 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.468 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 0.6 OUTLIER -70.78 -38.18 73.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.468 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.59 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 4.2 mt-10 -90.47 81.21 5.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.492 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 85.9 m-85 -29.13 89.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.59 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 0.2 OUTLIER -110.15 -51.13 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.497 ' C ' ' CD2' ' 1' ' 6' ' ' LEU . . . -74.88 10.26 9.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.548 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -136.54 9.23 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.497 ' N ' ' HB3' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -74.89 -170.27 1.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.994 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.522 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -68.32 -24.69 64.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.07 -5.7 58.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.694 ' HG3' ' N ' ' 1' ' 11' ' ' CYS . 0.0 OUTLIER -63.77 -38.58 91.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.694 ' N ' ' HG3' ' 1' ' 10' ' ' GLN . 13.0 t -67.15 -5.97 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -101.58 21.38 14.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.548 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -41.56 167.2 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.529 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 2.61 6.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.813 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.55 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 85.61 52.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.462 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 4.5 ptpt 174.57 46.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.548 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 51.2 t0 -155.59 10.99 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.594 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 6.1 mtt180 -92.13 -177.1 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 6.0 t -118.64 22.38 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.87 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.07 -34.52 56.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.252 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.93 54.36 38.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 138.43 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.63 17.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -128.73 34.82 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.503 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -55.05 122.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.444 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.6 OUTLIER -166.57 152.08 7.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.57 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.01 55.08 3.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.458 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 6.8 ttpt 179.61 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 2.0 mt-10 -94.78 -45.42 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.8 m -63.83 -57.51 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 108.379 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.566 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -60.55 -7.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -105.79 -26.74 11.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.512 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.89 -26.07 22.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.511 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 124.63 20.06 2.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' O ' ' HA ' ' 1' ' 32' ' ' ASN . 78.0 m -120.86 167.36 12.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -114.82 125.86 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 56.5 t80 -92.12 120.49 32.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.1 t70 -88.09 -81.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.55 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.42 -17.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -55.09 -60.36 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.55 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER -111.18 129.18 24.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -75.11 -14.6 20.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.33 67.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.572 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.78 169.01 7.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 113.36 3.78 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.9 27.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.537 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 31.5 t -171.26 103.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.661 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -169.65 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.535 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 68.69 29.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.662 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.0 Cg_endo -75.06 -100.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.522 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.46 34.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.535 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 34.9 mm-40 -53.24 -19.12 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.423 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -43.13 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.72 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.63 26.03 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 17.9 t -103.49 -67.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 108.219 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.451 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 0.8 OUTLIER -79.99 -25.74 40.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.1 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -90.39 73.73 6.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.407 ' HA ' ' CD1' ' 2' ' 6' ' ' LEU . 23.2 m-85 -88.39 66.63 8.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.476 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 49.1 t -116.91 -54.63 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.475 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -74.01 15.95 2.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.476 ' H ' ' C ' ' 2' ' 4' ' ' VAL . 0.0 OUTLIER -148.68 10.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.362 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 92.1 p -114.41 -167.68 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.635 ' O ' ' CB ' ' 2' ' 9' ' ' ASN . . . -54.82 145.26 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.635 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 1.5 t30 94.22 -25.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.475 ' HG3' ' C ' ' 2' ' 5' ' ' GLY . 0.3 OUTLIER -59.99 -40.57 89.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.683 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.8 t -60.79 -8.45 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.28 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.498 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -99.53 23.06 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.542 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -41.8 168.9 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.173 . . . . 0.0 109.349 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.457 ' O ' ' CB ' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 4.26 4.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.55 1.816 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.491 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 80.62 44.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.478 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.7 OUTLIER 175.82 39.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.542 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 27.6 t70 -146.79 12.05 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.232 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.566 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 3.4 mtt180 -90.75 -175.14 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.609 1.193 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.3 t -116.63 19.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 34.91 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -51.21 -33.66 28.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.72 53.96 40.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.94 141.19 29.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.97 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.75 36.96 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.5 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.8 OUTLIER -55.66 118.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.566 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER -166.39 154.58 9.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.475 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 50.98 2.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -173.75 -24.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -97.37 -44.24 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 7.3 m -65.27 -53.21 47.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 108.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -65.27 -5.4 7.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -105.04 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.83 -32.18 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 128.69 24.66 1.08 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.405 1.065 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.3 m -121.85 166.64 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.487 ' HB2' ' NE2' ' 2' ' 53' ' ' GLN . 2.2 t -114.12 128.49 56.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 108.368 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 44.2 t80 -94.95 116.49 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.57 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.15 -82.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.57 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.26 -23.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.425 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 6.9 mtp180 -65.29 -47.23 77.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.491 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -115.69 110.82 44.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.55 18.19 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.472 1.775 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.03 -2.28 64.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.566 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -119.71 -179.66 0.73 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 117.91 5.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.424 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.4 28.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.582 1.176 . . . . 0.0 108.021 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 27.1 t -169.87 106.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.86 -170.49 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.29 70.52 43.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.683 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.01 -97.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.547 ' CD2' ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -105.47 44.85 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.487 ' NE2' ' HB2' ' 2' ' 37' ' ' CYS . 35.1 mm-40 -55.22 -14.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 65.2 mt-10 -47.61 -20.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.94 -67.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.39 15.01 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.214 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -59.32 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.464 HG22 ' CA ' ' 2' ' 54' ' ' GLU . 7.3 t -61.29 -33.13 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.49 ' C ' ' NE2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -90.02 -113.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -90.63 59.05 4.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 92.6 t -119.21 -46.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.76 1.46 30.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -126.37 1.07 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 71.6 p -73.18 179.04 4.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.549 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -72.4 -5.82 39.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.49 -1.95 31.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.671 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 4.6 pt20 -66.07 -39.4 90.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.67 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 17.8 t -63.24 -9.13 10.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 0.0 108.341 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -105.28 18.04 22.96 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.568 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.05 168.0 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.568 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.92 26.87 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.554 1.818 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' 1' ' 13' ' ' VAL . . . 50.36 72.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.83 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.473 ' HB3' HG22 ' 1' ' 13' ' ' VAL . 15.8 t70 -163.81 15.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.9 mtt180 -91.36 172.26 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.1 t -99.37 16.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.491 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 33.56 85.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CD1' ' 1' ' 23' ' ' TYR . 3.8 t -47.17 -38.78 12.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.62 58.4 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.621 ' CD1' ' SG ' ' 1' ' 21' ' ' CYS . 1.5 m-85 -91.17 147.64 36.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.92 13.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.23 14.19 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.573 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -44.69 128.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.98 153.57 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.427 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.604 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.08 52.29 3.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.23 -21.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.9 OUTLIER -95.74 -44.16 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.573 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 28.3 m -55.45 -53.75 52.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -65.81 -3.78 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 24.4 t-20 -104.02 -29.0 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -84.33 -26.71 28.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.503 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.77 26.05 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -120.13 179.44 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.557 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.2 t -126.11 122.11 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.604 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 46.1 t80 -88.42 123.6 33.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.5 t70 -91.23 -81.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 86.34 -13.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -65.62 -43.02 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.51 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 1.1 mt -121.72 112.1 32.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -5.54 16.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.624 1.855 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -5.42 61.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.155 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.545 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.21 -177.88 0.52 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.535 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -74.98 116.0 4.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.48 28.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 45.0 t -171.98 107.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.337 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.34 -168.31 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.629 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.16 68.71 27.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.671 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.3 Cg_endo -74.98 -101.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.449 1.763 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.574 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -87.38 33.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.629 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 45.3 mm-40 -57.62 -19.27 24.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.3 OUTLIER -44.4 -24.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.83 -64.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.78 25.12 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 5.9 t -104.88 -58.06 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 108.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.8 t -69.15 -34.84 75.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' 2' ' 3' ' ' TYR . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.83 66.18 6.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.489 ' O ' ' CD2' ' 2' ' 3' ' ' TYR . 14.3 p90 -91.53 81.77 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 38.5 t -130.84 -64.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.459 ' O ' ' OE1' ' 2' ' 10' ' ' GLN . . . -67.51 6.01 2.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' 2' ' 4' ' ' VAL . 0.0 OUTLIER -156.41 27.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.243 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' 2' ' 3' ' ' TYR . 0.1 OUTLIER -106.0 160.31 15.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.56 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -61.01 91.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER 164.02 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 8.0 tt0 -62.21 -29.36 70.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.662 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 44.4 t -73.3 -1.82 19.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 108.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.59 10.45 13.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -44.88 167.46 0.1 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 28.09 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' 2' ' 42' ' ' ILE . . . 48.42 64.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 178.61 36.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.42 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 8.1 t70 -160.66 17.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.544 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -90.5 170.61 10.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.183 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.8 t -96.88 18.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 29.94 82.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -46.75 -38.02 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 58.52 13.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.97 140.31 26.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 2.1 t-160 -123.52 9.56 9.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.671 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.538 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 2.0 p -35.0 125.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.508 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -168.95 155.68 6.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.508 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.0 47.5 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.3 tttt -179.06 -14.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.511 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -101.38 -44.21 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.229 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 69.3 m -58.63 -54.24 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.47 -9.79 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -98.05 -28.21 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.99 -25.27 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.82 23.76 3.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 61.8 m -121.61 170.24 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.7 t -113.78 134.69 54.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -96.42 117.51 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.97 -82.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.359 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.87 -24.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.41 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER -64.21 -43.53 94.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.506 ' CG2' HG12 ' 2' ' 45' ' ' VAL . 0.7 OUTLIER -120.14 106.32 41.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.63 -4.7 63.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.575 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.16 -175.88 0.39 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.575 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.98 120.49 6.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -95.51 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 9.8 t -165.8 106.6 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -146.49 -169.66 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.521 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.41 69.95 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.662 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.04 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.577 ' CD2' ' C ' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -97.93 35.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 30.1 mm100 -46.86 -21.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -35.74 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.52 -60.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -141.5 14.31 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.97 -58.05 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.464 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 15.3 t -70.99 -44.31 66.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 0.2 OUTLIER -91.55 94.07 9.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -66.6 69.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 7.1 p -127.91 -52.36 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.073 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.497 ' O ' ' CG ' ' 1' ' 10' ' ' GLN . . . -71.06 0.08 32.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.454 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -131.31 12.9 5.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' 1' ' 8' ' ' ALA . 34.9 t -106.58 -157.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -67.78 81.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 169.57 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' 1' ' 5' ' ' GLY . 14.2 tt0 -59.92 -33.3 71.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.674 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 42.1 t -65.82 -7.34 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -108.6 13.91 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.505 ' C ' ' H ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -40.92 164.83 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 28.35 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.462 1.769 . . . . 0.0 111.041 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' 1' ' 16' ' ' LYS . . . 50.31 71.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 162.97 51.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 20.3 t70 -166.56 -25.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.604 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 8.0 mtt180 -46.96 175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.0 t -107.12 18.34 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.4 t0 33.38 87.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.45 -36.46 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.67 61.23 6.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.18 142.12 25.86 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 0.77 . . . . 0.0 110.997 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -9.45 20.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.3 OUTLIER -121.46 15.87 11.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.547 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.543 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -39.16 127.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.468 HG23 ' N ' ' 1' ' 28' ' ' PRO . 0.4 OUTLIER -167.58 152.75 6.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 54.52 3.69 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.507 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -99.37 -44.49 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.3 m -56.23 -51.52 67.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -68.62 -2.3 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.0 t-20 -105.47 -28.74 10.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.1 -24.3 30.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.88 25.67 2.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.0 m -119.78 -179.31 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.5 t -125.83 126.59 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 45.0 t80 -89.14 121.45 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -84.13 -82.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 84.88 -22.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.419 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 4.4 mtp180 -62.99 -45.23 93.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.47 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -118.88 110.75 38.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -6.58 18.28 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.91 -2.21 62.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.57 -177.91 0.53 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 0.81 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.09 118.52 5.27 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.504 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.77 27.79 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.4 t -168.96 106.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 108.232 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.643 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.71 -170.65 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.634 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.36 69.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.674 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -74.98 -96.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.596 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.62 32.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 54.4 mm-40 -58.93 -27.18 65.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' 1' ' 55' ' ' ALA . 8.0 pm0 -42.27 -25.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.84 -62.9 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.13 24.9 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER -103.16 -54.74 2.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.572 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.1 t -89.11 -36.33 15.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 10.7 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -87.24 -16.15 36.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -92.35 75.93 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.958 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -134.82 -54.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.503 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -67.11 -0.3 9.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -146.46 27.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 109.296 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 73.1 p -108.42 171.44 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -64.94 87.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER 164.47 -26.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -60.91 -32.38 71.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.681 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 51.6 t -68.49 -6.76 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -104.18 21.03 17.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.554 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -43.05 168.25 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' 2' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 4.37 4.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.524 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 82.83 46.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.48 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 175.7 42.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.554 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 34.5 t0 -148.97 12.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.5 mtt180 -92.03 178.97 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.22 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -110.61 21.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 32.09 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.19 -37.67 16.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.74 57.72 15.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -91.18 140.4 25.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 111.054 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -4.39 15.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 14.17 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.493 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -39.89 126.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.562 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER -168.05 155.27 7.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.06 47.64 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -179.83 -17.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -97.93 -45.15 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.5 m -54.54 -55.25 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.3 m-80 -61.44 -13.5 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.213 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.74 -34.76 17.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.21 -26.88 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.247 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.73 25.34 2.61 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.4 m -117.98 171.63 7.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 2.0 t -115.35 131.52 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 51.3 t80 -94.24 117.38 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -78.88 -83.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.78 -22.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 9.1 mtp180 -65.21 -46.6 80.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.524 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.7 OUTLIER -116.58 110.7 42.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.268 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -6.72 18.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.4 -2.31 65.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.415 1.072 . . . . 0.0 110.999 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.565 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.37 -179.49 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.516 ' O ' ' NH1' ' 2' ' 18' ' ' ARG . 18.2 Cg_endo -75.04 117.06 4.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.457 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -88.24 27.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.025 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 8.5 t -168.92 106.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 108.375 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.74 -170.83 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.543 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.36 70.74 63.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.681 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.97 -92.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -102.76 39.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 20.4 mm100 -51.29 -19.89 1.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 18.7 mt-10 -40.82 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.22 -72.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 22.29 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 3.1 t -98.69 -72.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . . . . . . . . . 14.3 t -54.69 -39.51 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.961 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.69 -100.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.479 ' HA ' ' CD2' ' 1' ' 6' ' ' LEU . 25.5 p90 -74.18 62.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.428 HG11 ' N ' ' 1' ' 5' ' ' GLY . 14.0 p -123.59 -52.48 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.428 ' N ' HG11 ' 1' ' 4' ' ' VAL . . . -69.62 1.73 13.84 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -139.28 17.9 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 0.803 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -104.71 157.21 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.514 ' HA ' ' CD2' ' 1' ' 52' ' ' LEU . . . -71.25 -3.0 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.78 -16.75 31.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -66.78 -37.83 85.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.329 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.65 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 39.6 t -71.4 -1.97 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 108.248 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -109.37 10.41 25.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.544 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -42.37 165.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.544 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 29.03 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.579 1.831 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' 1' ' 13' ' ' VAL . . . 45.95 63.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.71 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 15.5 t70 -161.19 -20.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.599 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 6.5 mtt180 -49.06 -179.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 47.0 t -113.05 19.37 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 33.42 90.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.51 -33.14 43.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.8 55.96 27.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.501 1.126 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.84 140.94 26.38 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.059 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 -6.65 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -132.87 47.12 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.486 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.3 p -64.24 122.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.417 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER -167.96 153.73 6.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.449 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 56.53 4.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.9 tttp -179.91 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -98.24 -45.8 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.1 m -64.3 -54.86 26.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -64.46 -5.17 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.1 t30 -106.71 -26.75 11.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -84.96 -32.26 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.518 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 130.49 23.05 1.02 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.4 m -120.52 179.81 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.518 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.7 t -125.23 129.0 49.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 45.0 t80 -90.25 122.87 33.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.4 t0 -76.56 -89.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.0 t 90.49 -24.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.956 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.401 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER -71.24 -43.86 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.5 ' CD1' ' HB3' ' 1' ' 15' ' ' ALA . 0.5 OUTLIER -120.08 104.57 43.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -3.45 13.93 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.97 64.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.624 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.2 m -121.74 -173.85 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.624 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.97 123.86 8.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.541 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -97.01 28.09 3.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 33.6 t -166.06 104.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -172.22 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.635 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.01 69.98 39.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.926 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.65 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.99 -96.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.416 1.745 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.514 ' CD2' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -91.95 30.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.635 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.19 -21.75 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.2 OUTLIER -39.11 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.53 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.453 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.7 tt0 -127.52 24.49 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.0 t -106.42 -51.58 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.342 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.436 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 0.6 OUTLIER -90.85 -29.84 17.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.8 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.26 -135.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.463 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -80.2 61.2 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.402 HG23 ' N ' ' 2' ' 5' ' ' GLY . 12.1 m -121.99 -44.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.402 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -69.35 -3.36 38.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.608 ' C ' ' HB2' ' 2' ' 10' ' ' GLN . 0.0 OUTLIER -113.71 -8.43 13.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.896 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.594 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 58.2 p -114.31 163.63 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.592 ' O ' ' N ' ' 2' ' 11' ' ' CYS . . . 36.51 -91.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' 2' ' 7' ' ' SER . 4.4 t-20 -35.6 -32.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.608 ' HB2' ' C ' ' 2' ' 6' ' ' LEU . 1.4 tt0 -64.02 -49.26 73.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.665 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.8 t -66.9 -5.71 13.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 108.261 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.15 16.86 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.564 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -46.7 168.02 0.14 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.564 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -74.95 27.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.514 ' HB1' ' CD1' ' 2' ' 42' ' ' ILE . . . 50.09 65.43 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.436 ' O ' ' CE ' ' 2' ' 16' ' ' LYS . 0.0 OUTLIER 175.78 36.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.436 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 26.9 t0 -157.29 13.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 8.8 mtt180 -90.05 176.42 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.5 t -107.9 22.17 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 30.43 87.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.2 t -49.0 -33.02 10.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.98 60.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.56 134.95 33.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.8 15.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.428 1.751 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -123.92 25.81 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.511 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -47.5 121.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.521 HG21 ' N ' ' 2' ' 28' ' ' PRO . 0.6 OUTLIER -166.55 151.84 7.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.521 ' N ' HG21 ' 2' ' 27' ' ' THR . 18.0 Cg_endo -75.1 49.28 2.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.585 1.834 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -176.06 -22.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.194 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -95.75 -45.71 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 10.9 m -61.82 -58.57 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' 2' ' 37' ' ' CYS . 0.8 OUTLIER -59.86 -9.71 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' 2' ' 31' ' ' CYS . 19.0 t30 -100.91 -27.8 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.504 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.38 -25.21 21.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.496 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 121.73 22.55 2.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.505 ' CB ' ' SG ' ' 2' ' 48' ' ' CYS . 78.5 m -121.7 163.72 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.588 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -111.22 132.34 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 39.1 t80 -96.74 118.32 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.552 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -77.2 -83.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.552 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 86.88 -23.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.414 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 5.2 mtp85 -66.34 -43.1 87.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.514 ' CD1' ' HB1' ' 2' ' 15' ' ' ALA . 1.2 mt -121.03 106.29 39.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -5.53 65.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.587 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.45 -175.81 0.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.587 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.36 6.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.459 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.77 28.38 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.9 t -167.06 103.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.61 -168.57 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.22 68.22 36.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.665 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.97 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -92.37 33.15 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.592 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm-40 -51.84 -22.8 4.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -41.58 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.75 -59.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . 0.448 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 45.6 mt-10 -145.79 21.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -98.61 -54.7 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 8.6 t -71.03 -43.07 68.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -90.33 73.75 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.611 1.194 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -59.27 86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -115.05 -49.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.429 ' C ' ' CD1' ' 1' ' 6' ' ' LEU . . . -70.48 -0.48 31.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.122 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -127.74 0.8 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 0.739 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.486 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 58.8 p -112.1 -151.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.57 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -39.21 143.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 89.21 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.479 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -59.74 -36.29 76.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.69 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 40.1 t -67.36 -5.41 14.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -107.37 13.93 26.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.516 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.42 166.97 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.1 Cg_endo -74.99 27.94 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.5 ' HB2' ' CD1' ' 1' ' 42' ' ' ILE . . . 47.87 61.83 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.366 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.408 ' CE ' ' HG2' ' 1' ' 14' ' ' PRO . 0.0 OUTLIER 179.96 34.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.435 ' HB3' HG22 ' 1' ' 13' ' ' VAL . 16.7 t0 -157.59 14.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.365 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.7 mtt180 -88.57 174.29 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.2 t -104.59 21.19 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 29.91 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.43 -33.27 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.367 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.22 60.57 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.552 1.158 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -90.75 146.48 34.14 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 111.03 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.52 21.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -127.08 35.4 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.521 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.542 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -57.83 128.34 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.461 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -169.9 155.19 5.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 55.78 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.0 OUTLIER 176.84 -21.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -98.84 -46.38 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 20.8 m -56.0 -50.78 69.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.76 -1.93 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -102.59 -33.39 9.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.597 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.45 -25.19 39.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.97 24.98 2.38 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 30.7 m -116.9 -179.81 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.9 t -126.44 125.63 42.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 57.2 t80 -87.23 121.41 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -84.15 -84.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.51 -22.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.408 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 17.6 mtm180 -64.11 -42.24 96.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.5 ' CD1' ' HB2' ' 1' ' 15' ' ' ALA . 1.3 mt -121.22 107.36 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -4.52 15.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.99 -6.01 63.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.593 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -120.96 -175.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.593 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.546 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.56 30.81 1.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.485 1.115 . . . . 0.0 108.021 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 22.0 t -171.53 112.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.575 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -149.91 -170.98 3.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 111.073 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.95 72.36 33.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.69 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -75.09 -97.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.486 ' HB2' ' C ' ' 1' ' 7' ' ' SER . 0.3 OUTLIER -93.92 32.77 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.5 mm-40 -53.79 -23.93 13.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.479 ' CA ' ' HB ' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -39.1 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -52.06 -87.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -84.62 11.74 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 14.2 t -105.5 -68.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.479 ' HB ' ' CA ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -47.21 -30.23 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -88.29 58.21 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -90.59 78.26 6.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.421 HG22 ' N ' ' 2' ' 5' ' ' GLY . 22.4 m -119.51 -51.43 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' 2' ' 6' ' ' LEU . . . -70.56 -1.03 34.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.491 ' CD1' ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -130.37 10.98 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.459 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -106.77 -163.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.502 ' HA ' ' CD2' ' 2' ' 52' ' ' LEU . . . -59.06 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' 2' ' 7' ' ' SER . 2.6 t-20 166.29 -30.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 20.7 tt0 -63.49 -32.51 73.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.673 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 19.4 t -65.03 -7.5 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.09 7.86 34.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -38.95 158.15 0.11 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.477 ' N ' HG12 ' 2' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 29.55 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.575 1.829 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.527 ' HB3' ' CG1' ' 2' ' 45' ' ' VAL . . . 53.12 70.3 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.94 41.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.482 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 40.0 t0 -162.25 12.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.633 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -92.01 179.41 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 31.4 t -108.52 20.05 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.17 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.638 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 5.1 t -52.58 -35.06 53.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 108.313 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.25 57.94 2.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' SG ' ' 2' ' 21' ' ' CYS . 2.9 m-30 -91.56 148.29 37.06 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.562 0.801 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.413 ' HB2' ' NH1' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -123.62 13.38 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.629 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.567 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -43.8 122.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.506 1.129 . . . . 0.0 109.412 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.521 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -165.94 154.15 9.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.396 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 48.93 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 1.9 tttp -179.21 -18.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.236 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.481 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.8 OUTLIER -99.35 -44.99 6.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.3 m -55.04 -56.76 16.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -14.0 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.62 -30.88 16.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -84.91 -26.6 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.19 21.42 3.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.142 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 95.5 m -114.06 174.89 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.494 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -121.36 125.71 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 50.4 t80 -91.06 121.55 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.086 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -84.96 -82.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.918 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.59 -24.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.419 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 12.2 mtp180 -63.38 -41.97 98.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.489 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.81 107.8 35.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.51 65.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.596 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.21 -175.46 0.35 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.596 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.95 118.87 5.43 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.516 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.68 27.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 107.983 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 36.8 t -171.92 103.45 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.732 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.19 -167.84 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -123.65 65.27 33.31 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.732 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.96 -96.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.575 ' C ' ' CD1' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -105.71 28.74 7.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' 2' ' 54' ' ' GLU . 0.0 OUTLIER -45.38 -18.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 12.0 pt-20 -42.23 -23.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.04 -70.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.72 9.85 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.0 t -88.31 -74.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 108.34 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.485 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 2.6 t -41.73 -36.82 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.553 ' N ' ' CG2' ' 1' ' 4' ' ' VAL . 3.9 tp10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.74 -75.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 110.285 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.433 ' O ' ' OG ' ' 1' ' 7' ' ' SER . 9.2 m-85 -90.06 81.57 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.553 ' CG2' ' N ' ' 1' ' 1' ' ' GLU . 45.4 t -126.18 -50.26 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' 1' ' 10' ' ' GLN . . . -70.67 0.25 28.49 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -128.06 -0.05 5.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 0.719 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.438 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 5.7 m -111.12 -151.64 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.598 ' O ' ' HB3' ' 1' ' 9' ' ' ASN . . . -38.44 144.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.598 ' HB3' ' O ' ' 1' ' 8' ' ' ALA . 8.3 t-20 88.52 -37.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.453 ' O ' HG21 ' 1' ' 13' ' ' VAL . 0.0 OUTLIER -58.08 -41.07 82.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.699 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 31.4 t -64.08 -8.81 13.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 108.264 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.518 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -99.23 20.12 14.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.538 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -40.86 168.13 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.408 1.068 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.459 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.2 Cg_endo -74.95 5.0 4.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.516 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 81.51 46.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.445 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 177.66 43.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.538 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 20.0 t70 -151.41 11.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.6 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.4 mtt180 -92.23 -177.08 4.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -114.89 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.43 89.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.26 -33.47 19.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.26 55.78 27.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.4 1.062 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.403 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.51 142.07 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.04 -8.91 20.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -131.68 49.86 2.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.501 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -66.09 121.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -168.73 154.02 6.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.931 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 57.14 4.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.394 1.734 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.2 tttp -179.16 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -98.02 -46.23 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.14 -54.83 27.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.1 m-80 -64.21 -5.58 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -106.54 -27.09 11.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.498 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.02 -30.5 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.5 22.91 1.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.7 m -120.12 177.15 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.92 128.36 50.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.6 t80 -89.71 120.98 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.3 t0 -75.69 -89.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.3 t 89.61 -22.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -71.24 -45.04 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.516 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.3 OUTLIER -119.68 106.95 41.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.92 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.76 -3.2 64.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.6 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.18 -175.56 0.36 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.583 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 122.33 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.531 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -94.03 28.43 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.957 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 31.8 t -167.72 103.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.32 -171.45 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.91 39.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.699 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.1 Cg_endo -75.03 -99.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.498 1.789 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.455 HD21 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -93.18 34.25 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.541 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 40.8 mm-40 -53.22 -21.94 5.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -27.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.68 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.31 25.29 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.6 -71.91 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 10.0 t -59.05 -38.45 79.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' 1' ' 58' ' ' THR . 19.5 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -89.92 69.58 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -90.56 88.85 7.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' 2' ' 5' ' ' GLY . 4.4 m -118.66 -50.34 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.46 ' N ' ' CG2' ' 2' ' 4' ' ' VAL . . . -71.23 1.11 28.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -130.3 7.78 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.469 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -107.99 -162.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.491 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -58.99 84.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 1.161 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 167.11 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 18.7 tt0 -66.4 -28.9 68.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.708 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 41.2 t -69.72 -3.1 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -114.52 9.87 16.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.504 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.47 164.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.504 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 33.83 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.543 ' HB3' ' CG2' ' 2' ' 45' ' ' VAL . . . 43.64 71.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.605 1.191 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 169.52 41.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 30.0 t70 -156.89 -30.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.674 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -45.28 171.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.6 t -105.29 20.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 30.49 86.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -49.36 -36.04 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 108.366 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.26 60.09 9.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.639 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.74 139.01 24.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.54 14.04 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.605 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.514 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.71 127.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.535 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER -167.07 153.81 8.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.458 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 46.98 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -178.95 -15.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -100.15 -45.21 5.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.514 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 62.1 m -55.51 -55.39 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -62.21 -12.57 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.639 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.37 -26.23 23.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.86 23.07 3.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.9 m -120.27 173.42 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.9 t -114.63 133.58 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 46.5 t80 -89.12 124.01 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -69.08 -97.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.9 t 94.27 -12.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.403 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 10.7 mtp180 -90.07 -57.55 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.513 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 1.4 mt -107.1 116.37 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.64 21.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -6.24 67.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.592 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.85 171.07 4.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.592 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.432 1.754 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.526 ' HA ' ' CB ' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.19 30.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.63 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 4.8 t -165.9 96.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.677 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.44 -172.91 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.508 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.34 69.31 31.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.708 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -95.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.401 1.738 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -100.87 39.93 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.544 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 25.1 mm100 -49.68 -18.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 3.0 mt-10 -41.77 -25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.88 -68.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.7 mt-10 -137.93 21.85 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.92 -52.76 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 108.217 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 6.5 t -70.75 -31.08 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.655 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 1.1 tt0 -91.0 81.66 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.538 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 22.5 m-85 -25.56 85.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.655 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 6.2 p -139.99 -46.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' 1' ' 10' ' ' GLN . . . -71.62 -2.13 48.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -131.38 13.76 5.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.442 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 79.2 p -105.01 -170.64 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.522 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -58.92 86.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 164.23 -29.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' 1' ' 5' ' ' GLY . 9.3 tt0 -63.99 -34.26 77.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.637 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 40.1 t -61.7 -8.05 4.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.423 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -107.86 21.94 16.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.586 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.6 OUTLIER -48.78 167.73 0.2 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.528 ' HD2' ' HB ' ' 1' ' 13' ' ' VAL . 18.7 Cg_endo -74.85 5.54 3.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' 1' ' 14' ' ' PRO . . . 85.47 57.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.494 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 171.2 44.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.586 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 27.6 t0 -151.55 8.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' NH1' ' CZ ' ' 1' ' 49' ' ' PHE . 3.1 mtt180 -91.4 176.44 6.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 24.3 t -113.69 23.05 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.41 89.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.03 -33.55 18.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.53 57.3 19.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.34 138.15 27.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -5.45 16.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -123.73 18.36 9.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.565 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -39.99 124.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.66 153.41 8.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 53.97 3.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -93.63 -42.65 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 61.0 m -61.18 -56.58 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.485 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -65.53 -3.46 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 19.0 t30 -105.46 -28.04 11.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.53 -29.99 23.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.425 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . . . 127.81 22.67 1.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.8 m -118.95 178.27 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -121.01 129.75 53.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 38.4 t80 -81.78 128.92 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.582 ' CB ' ' HA ' ' 1' ' 47' ' ' TRP . 8.0 t70 -63.52 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.0 OUTLIER 89.92 -7.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -91.14 -60.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.529 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.8 OUTLIER -120.21 130.8 24.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -11.57 21.59 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.89 65.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.563 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -102.35 169.95 6.96 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.387 0.698 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.578 ' O ' ' CE1' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 115.87 4.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.582 ' HA ' ' CB ' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -85.62 30.3 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.1 t -171.14 96.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.45 -174.41 3.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 111.05 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.522 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.17 70.39 42.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.06 -100.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.522 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER -93.54 33.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.522 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.6 mm-40 -51.95 -21.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' CA ' HG22 ' 1' ' 58' ' ' THR . 1.0 OUTLIER -41.17 -26.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.43 -72.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -127.29 25.17 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.425 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.4 t -102.61 -61.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.459 HG22 ' CA ' ' 1' ' 54' ' ' GLU . 13.5 t -68.84 -35.55 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' N ' HG23 ' 1' ' 58' ' ' THR . 2.4 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' 2' ' 4' ' ' VAL . 19.3 tt0 -90.23 -132.3 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.565 ' N ' ' CD1' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -67.06 66.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 71.6 t -124.62 -52.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.428 ' O ' ' CD ' ' 2' ' 10' ' ' GLN . . . -71.32 0.93 29.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.456 ' HA ' ' NE2' ' 2' ' 10' ' ' GLN . 0.0 OUTLIER -131.75 9.57 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.487 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 16.0 t -106.35 -164.09 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.027 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.46 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -59.16 83.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 169.18 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 16.1 tt0 -65.26 -29.31 70.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.683 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 41.4 t -68.64 -4.6 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -112.56 10.31 19.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.5 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -41.01 162.52 0.11 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.487 ' HD2' HG23 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -74.99 30.33 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' 2' ' 16' ' ' LYS . . . 52.36 71.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.11 42.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 36.5 t0 -159.3 9.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.58 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 8.8 mtt180 -91.09 178.48 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -108.54 18.19 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.365 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 85.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -49.28 -36.75 21.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 108.297 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.89 60.16 8.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -92.13 139.7 24.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.004 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.553 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 1.4 t60 -125.54 13.38 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.513 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.78 127.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.492 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -169.29 155.02 6.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.492 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 47.91 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER -178.72 -16.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.553 ' HG2' ' CD2' ' 2' ' 25' ' ' HIS . 0.4 OUTLIER -100.55 -45.95 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.513 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.5 m -55.65 -55.73 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 108.241 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.5 m-80 -61.42 -12.33 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -94.78 -29.26 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.238 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.74 -24.62 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.3 22.58 3.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.396 1.06 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.2 m -120.86 167.59 12.36 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.507 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -111.49 134.82 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 47.6 t80 -97.9 116.07 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.545 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.2 OUTLIER -75.63 -84.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.545 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 88.01 -25.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -66.18 -43.2 87.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.45 HD11 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.5 105.48 41.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.03 13.32 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.28 -6.67 68.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.546 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.73 -176.88 0.44 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.546 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.02 119.63 5.72 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.448 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.62 28.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.974 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 7.4 t -165.62 101.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -142.26 -169.89 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 111.061 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.516 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.3 69.84 31.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.683 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.03 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -99.71 38.99 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.512 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.0 mm100 -52.04 -17.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.2 pt-20 -43.91 -21.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.27 -66.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -139.04 12.69 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -58.24 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . . . . . . . . . 4.5 t -61.44 -34.03 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' 1' ' 2' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' 1' ' 1' ' ' GLU . 0.5 OUTLIER -89.43 -134.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.51 66.02 5.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.408 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 93.5 t -128.88 -48.89 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -70.39 4.09 9.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.511 ' C ' ' CD2' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -145.53 18.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 0.81 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 65.7 p -90.95 164.71 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.495 ' HA ' ' CG ' ' 1' ' 52' ' ' LEU . . . -67.43 -6.51 19.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.0 -5.44 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -65.41 -39.79 92.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.666 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 42.1 t -64.97 -7.86 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -99.32 21.09 12.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.541 HG22 ' CG ' ' 1' ' 18' ' ' ARG . 0.0 OUTLIER -42.85 167.7 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.6 Cg_endo -74.86 2.85 6.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' 1' ' 14' ' ' PRO . . . 83.42 46.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.487 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 174.25 41.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.536 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 31.7 t70 -148.15 12.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.585 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 1.5 mtt180 -91.48 -178.81 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.0 t -112.89 21.28 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.82 89.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.38 -33.33 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.65 56.06 26.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.546 1.153 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.415 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -91.21 140.98 25.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 0.73 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -7.08 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 54.5 1.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.377 1.048 . . . . 0.0 109.629 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.51 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -70.69 124.4 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.432 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -170.2 154.7 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.382 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.27 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 16.8 tttt 179.42 -24.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.4 mp0 -97.66 -47.36 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.51 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.2 m -65.36 -54.15 33.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.453 HD22 ' H ' ' 1' ' 38' ' ' PHE . 27.8 m120 -63.47 -6.97 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -106.58 -26.84 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -83.64 -29.41 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 126.2 22.99 1.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.495 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 67.2 m -120.08 179.05 4.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -123.66 125.25 44.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.5 t80 -83.52 126.65 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 8.5 t70 -70.43 -98.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.2 t 94.19 -13.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -52.83 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.496 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -115.08 109.12 47.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.96 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.23 -1.61 59.35 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.585 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.88 -176.51 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.564 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.89 121.68 6.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.575 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -95.32 28.24 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.552 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 24.8 t -167.91 100.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 108.321 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.71 -171.63 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.75 69.31 35.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.666 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.0 Cg_endo -74.98 -98.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.495 ' CG ' ' HA ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER -93.13 33.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.3 mm-40 -53.89 -18.46 3.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.446 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -43.38 -25.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.56 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.7 t -105.52 -51.19 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.455 ' CB ' ' HB ' ' 2' ' 58' ' ' THR . 1.5 t -78.99 -43.4 24.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' 1' ' 58' ' ' THR . 65.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.68 -114.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.438 ' HA ' ' CD1' ' 2' ' 6' ' ' LEU . 0.5 OUTLIER -89.22 71.68 8.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -50.68 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -71.19 2.05 22.0 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER -139.23 18.13 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 0.716 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.429 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 3.9 p -105.3 171.53 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.53 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -59.88 86.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.626 1.204 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 169.62 -31.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.078 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.92 -31.84 72.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.669 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 53.2 t -68.96 -5.2 20.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -107.67 11.73 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.516 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.98 164.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.516 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.92 28.72 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.55 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 50.3 74.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.386 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.15 46.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 10.8 t70 -157.88 -30.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.241 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.673 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.0 mtt180 -44.53 172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.4 t -110.23 22.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 32.1 89.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.643 ' N ' ' HZ3' ' 2' ' 50' ' ' LYS . 1.9 t -51.28 -31.97 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.16 51.18 57.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.409 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -87.56 133.6 37.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.31 22.41 7.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.594 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.596 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -45.0 124.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.516 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.6 OUTLIER -167.05 152.39 7.24 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 48.87 2.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER -178.09 -20.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -96.97 -43.94 7.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.7 m -61.01 -58.01 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 108.353 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.6 m-80 -63.82 -5.17 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.412 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 18.9 t30 -103.66 -27.32 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.533 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.78 -26.16 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.493 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 123.2 21.45 2.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.9 m -118.76 168.59 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.485 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 5.3 t -111.94 133.91 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.2 t80 -88.34 126.26 35.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -67.72 -98.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 89.63 -7.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.425 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.1 OUTLIER -91.05 -56.13 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.55 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -120.42 127.07 26.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.65 21.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.95 -8.18 67.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.578 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -103.47 170.29 6.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.443 1.76 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -86.66 29.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.035 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.5 t -171.01 93.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -132.99 -171.81 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.643 ' HZ3' ' N ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -126.23 69.64 67.93 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.669 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.98 -97.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.584 1.833 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.53 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -96.49 33.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.563 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -46.37 -22.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.83 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.41 -66.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.44 15.86 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.551 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -96.46 -86.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 -179.924 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.455 ' HB ' ' CB ' ' 1' ' 58' ' ' THR . 0.8 OUTLIER -37.32 -32.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.0 mp0 -69.74 72.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -56.17 82.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 17.7 m -135.31 -54.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.458 ' C ' ' CD1' ' 1' ' 6' ' ' LEU . . . -58.11 -11.89 10.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -135.61 26.24 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 0.817 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.88 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 7.6 t -105.9 114.82 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.945 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.614 ' O ' ' N ' ' 1' ' 10' ' ' GLN . . . 26.07 -76.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.88 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.7 OUTLIER -37.07 -25.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.67 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.8 OUTLIER -55.37 -45.52 76.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.673 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 19.2 t -63.46 -6.84 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 108.277 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.419 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -107.95 16.29 23.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.556 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.2 167.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.556 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.97 27.37 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.509 ' HB2' ' CG2' ' 1' ' 45' ' ' VAL . . . 52.61 71.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.489 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 166.47 41.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.937 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.471 ' HB3' HG23 ' 1' ' 13' ' ' VAL . 8.7 t70 -159.38 11.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 6.9 mtt180 -91.44 176.26 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.5 t -105.71 20.73 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.75 86.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.02 -35.66 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.92 62.93 2.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.612 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.69 149.87 39.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.95 21.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.06 18.77 10.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.57 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.7 p -44.99 121.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.45 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -163.1 154.89 15.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 110.441 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.85 55.59 3.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.56 -21.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -99.65 -43.59 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.4 m -56.42 -52.32 65.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -68.55 -2.27 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 20.6 t30 -104.92 -29.04 10.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.35 -24.69 29.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.486 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.64 24.36 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.0 m -117.83 179.63 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.21 126.13 44.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 45.5 t80 -88.94 121.32 31.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.533 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.81 -84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.533 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.83 -23.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 0.6 OUTLIER -64.96 -43.86 91.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.938 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.64 106.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.43 -6.4 66.22 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.573 ' CB ' ' CD ' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -121.64 -175.42 0.35 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 0.71 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.5 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.32 28.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.572 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 19.6 t -169.48 108.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.63 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.55 -170.38 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.923 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.619 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.07 69.77 29.31 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.673 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -74.95 -99.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.52 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -89.89 32.55 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.619 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm100 -54.38 -20.85 8.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 3.6 pt-20 -41.53 -26.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.2 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.32 25.33 7.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 5.0 t -105.99 -55.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.9 OUTLIER -90.27 -31.03 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.916 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.37 -116.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.438 ' O ' ' CB ' ' 2' ' 7' ' ' SER . 0.8 OUTLIER -91.28 79.63 5.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.447 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 2.4 p -135.83 -60.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -67.2 2.92 4.76 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.453 ' C ' ' CD2' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -153.68 23.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 0.763 . . . . 0.0 109.248 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.456 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 10.4 t -108.23 149.37 28.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -58.15 86.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.18 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.2 OUTLIER 168.85 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.56 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.08 -28.92 69.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.625 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 51.0 t -74.55 -3.11 29.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.571 1.169 . . . . 0.0 108.24 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.83 11.21 14.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.562 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -45.03 167.76 0.1 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.562 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.91 28.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' 2' ' 13' ' ' VAL . . . 47.81 63.37 2.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.06 35.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.455 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 7.5 t70 -157.51 13.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.537 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 12.4 mtt180 -87.41 173.82 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 51.2 t -103.41 19.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 30.56 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.47 -34.49 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.54 59.35 6.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -91.21 144.15 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.086 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.7 Cg_endo -74.89 -3.89 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.408 1.741 . . . . 0.0 111.048 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.4 OUTLIER -124.07 11.37 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.532 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.498 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.93 121.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.531 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.09 158.96 10.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.531 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.05 48.96 2.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER 179.21 -16.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.9 OUTLIER -98.67 -45.74 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.498 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 93.2 m -54.82 -56.43 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -61.88 -11.33 12.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.405 ' O ' ' OH ' ' 1' ' 23' ' ' TYR . 7.5 t30 -90.14 -35.83 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.7 -25.58 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.2 26.64 2.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 49.1 m -119.62 169.6 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.5 t -113.57 133.15 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.439 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 54.1 t80 -95.61 116.62 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.44 -84.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.29 -23.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.406 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 10.2 mtp180 -65.68 -41.54 92.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.491 ' CD1' ' HB1' ' 2' ' 15' ' ' ALA . 1.3 mt -120.72 106.88 39.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.1 -6.0 65.36 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.587 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.1 m -120.65 -176.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.587 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 120.11 5.92 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.495 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.9 28.12 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 9.0 t -167.45 110.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 108.336 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.596 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -150.15 -171.06 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.44 72.32 38.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.625 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -96.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -101.48 39.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.501 ' NE2' ' HD2' ' 2' ' 51' ' ' PRO . 31.6 mm-40 -51.94 -19.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -41.99 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.17 -65.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -143.81 20.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -100.12 -55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.449 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 4.5 t -66.39 -44.03 84.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.416 ' N ' HG21 ' 2' ' 58' ' ' THR . 6.4 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.657 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 2.6 mm-40 -92.22 91.59 7.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.506 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 14.6 m-85 -29.02 85.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.657 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 73.0 t -137.61 -48.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.489 ' O ' ' HG3' ' 1' ' 10' ' ' GLN . . . -64.33 -9.47 36.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.444 ' HA ' ' HB2' ' 1' ' 10' ' ' GLN . 0.0 OUTLIER -118.95 8.38 11.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.562 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 0.8 OUTLIER -107.95 -154.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.939 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' 1' ' 9' ' ' ASN . . . -54.9 82.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.642 1.214 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 163.36 -30.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.589 1.18 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.601 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -65.2 -26.84 68.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.666 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 46.8 t -74.0 -2.85 25.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 108.272 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -114.07 9.33 17.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.557 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.76 167.61 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.557 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 27.98 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.513 ' CB ' HG22 ' 1' ' 45' ' ' VAL . . . 49.13 65.65 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.15 36.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.422 ' HB3' HG22 ' 1' ' 13' ' ' VAL . 34.4 t0 -159.34 15.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.62 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.5 mtt180 -89.85 172.21 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.1 t -101.68 18.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.85 87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.221 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -49.59 -37.11 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.273 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.38 63.11 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.47 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 110.974 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.06 19.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.9 OUTLIER -124.23 16.59 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.633 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.518 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -39.05 127.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -167.35 153.75 7.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.377 179.945 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.582 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -179.91 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -95.91 -44.79 7.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 31.2 m -56.31 -51.1 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.303 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -68.91 -1.24 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 48.6 t30 -106.32 -29.44 9.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.607 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.1 -24.36 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.16 26.35 2.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 13.7 m -119.95 -177.99 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.1 t -128.31 125.11 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 108.333 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.5 t80 -88.95 119.49 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.4 t70 -89.28 -82.62 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.598 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 86.69 -16.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.975 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.52 -42.76 99.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.9 110.05 33.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 110.953 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.09 -6.33 63.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.71 -176.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.555 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.12 117.39 4.87 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.88 27.65 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.963 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 42.1 t -169.01 109.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.626 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.96 -170.82 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.603 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -118.6 71.58 9.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.666 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 -97.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' 1' ' 7' ' ' SER . 0.6 OUTLIER -92.65 33.04 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.02 -25.4 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -36.39 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.91 -64.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.29 14.03 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' 1' ' 53' ' ' GLN . 0.5 OUTLIER -94.0 -88.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.357 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.404 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.9 t -41.02 -43.83 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' 1' ' 58' ' ' THR . 31.2 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' 2' ' 3' ' ' TYR . 11.7 pm0 -89.94 -128.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.414 ' N ' ' CG ' ' 2' ' 2' ' ' GLU . 10.2 p90 -91.41 68.61 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 16.4 m -123.65 -53.58 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.7 1.95 19.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.48 ' CD2' ' C ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -135.07 17.94 3.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 36.8 p -87.21 -178.89 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.053 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.489 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -71.15 -8.28 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.08 -8.29 40.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.629 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 1.5 pt20 -65.57 -38.5 89.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.218 -179.889 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.671 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 21.0 t -65.45 -7.0 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.292 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -106.22 16.19 25.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.31 167.19 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.374 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 27.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.539 ' HB1' ' CG1' ' 2' ' 45' ' ' VAL . . . 50.82 72.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 165.65 41.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.462 ' HB3' HG23 ' 2' ' 13' ' ' VAL . 18.3 t0 -160.65 12.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.567 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 6.4 mtt180 -91.06 176.78 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 24.5 t -106.55 20.92 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 30.25 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.61 -35.99 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.92 59.21 8.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.55 140.79 25.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -4.83 15.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -123.63 12.99 9.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.619 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.504 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -38.56 125.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.429 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.3 OUTLIER -165.03 155.55 12.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 47.2 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.439 1.757 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 2.8 tttt -179.49 -20.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.13 -45.22 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.225 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.504 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.0 m -54.67 -56.32 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.3 m-80 -60.13 -14.17 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -90.21 -32.5 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.45 -25.1 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.462 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.76 23.88 3.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.9 m -118.92 173.92 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.53 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.9 t -117.62 130.94 56.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.2 t80 -94.55 119.88 33.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.574 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.89 -83.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.574 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.33 -24.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 13.6 mtp180 -64.12 -43.89 93.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -120.45 106.59 40.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.91 13.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 111.034 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.17 -7.21 65.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.564 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.34 -176.35 0.41 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.564 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 118.89 5.43 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.505 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.29 28.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 11.5 t -167.45 105.22 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.45 -169.61 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.89 69.81 37.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.671 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.5 Cg_endo -75.0 -99.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -92.64 34.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 27.2 mm100 -50.55 -19.37 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -39.61 -26.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.43 -60.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -142.93 17.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.3 OUTLIER -95.99 -51.42 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 4.7 t -67.76 -45.53 74.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.192 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -86.76 -122.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.46 ' HA ' ' CD2' ' 1' ' 6' ' ' LEU . 3.6 p90 -91.89 72.23 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.446 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 97.9 t -127.75 -60.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.448 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -67.54 3.27 4.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.555 ' CD1' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -149.49 29.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -102.99 164.41 11.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.078 179.916 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -67.1 -5.4 13.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.369 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -7.55 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' 1' ' 7' ' ' SER . 0.0 OUTLIER -64.39 -42.29 96.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.365 179.949 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.618 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 46.0 t -74.98 0.64 15.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 108.349 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -107.88 7.54 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.529 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.18 161.76 0.12 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.529 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 28.72 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 49.22 75.91 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 161.64 48.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 37.0 t0 -162.36 -27.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.653 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -48.21 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -111.19 21.84 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.41 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.637 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.4 t -46.53 -36.23 6.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.58 60.6 8.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.81 138.72 24.79 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.45 0.735 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -122.82 15.55 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.554 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -38.67 129.41 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.478 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.5 OUTLIER -168.78 152.15 5.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.427 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 53.59 3.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 tptt 176.7 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -99.99 -45.05 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.6 m -56.06 -52.8 62.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.484 1.115 . . . . 0.0 108.316 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -67.26 -4.31 10.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 33.3 t-20 -105.17 -25.47 12.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.631 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.1 23.61 2.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 58.4 m -120.55 -175.98 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.2 t -126.5 128.09 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 41.0 t80 -82.01 128.87 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 7.7 t70 -71.28 -98.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.2 t 91.89 -9.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.157 . . . . 0.0 110.057 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.416 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 5.3 mtp180 -90.32 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -116.84 122.09 31.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -11.96 21.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.36 65.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.588 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -104.65 170.32 6.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.613 ' O ' ' CE1' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.568 ' HA ' ' CB ' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.74 29.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.637 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.3 t -166.57 94.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.04 -176.74 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.574 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.46 71.36 13.18 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.618 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.0 Cg_endo -75.01 -97.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.495 ' CB ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.574 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.8 mm100 -52.13 -21.77 3.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.458 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.2 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.234 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.96 -67.93 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -133.38 24.21 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 2.5 t -105.78 -49.25 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.9 t -82.34 -45.66 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' 1' ' 58' ' ' THR . 60.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . 0.438 ' HB3' ' CG2' ' 2' ' 4' ' ' VAL . 6.7 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' 2' ' 3' ' ' TYR . 1.3 tp10 -89.65 -136.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.489 ' HA ' ' CD1' ' 2' ' 6' ' ' LEU . 9.0 p90 -68.1 63.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 35.5 m -118.72 -54.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.3 4.19 20.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' 2' ' 3' ' ' TYR . 2.2 pp -128.82 4.23 5.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 40.9 p -75.22 -177.15 3.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.925 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.518 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -73.95 -4.0 32.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.71 -5.24 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 109.35 179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.559 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -64.99 -39.69 93.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.369 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.689 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.7 t -63.74 -8.68 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -99.87 15.01 28.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.538 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.06 166.31 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.538 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.92 27.01 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' 2' ' 13' ' ' VAL . . . 48.61 66.16 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.1 OUTLIER 176.7 37.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.415 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 21.7 t70 -161.07 15.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.8 mtt180 -91.05 172.03 8.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.2 t -98.38 17.2 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.5 t0 32.26 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 0.5 OUTLIER -49.39 -36.03 20.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 179.926 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.34 59.62 0.79 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.621 ' CE1' ' SG ' ' 2' ' 21' ' ' CYS . 1.8 m-85 -90.6 158.85 42.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.596 0.821 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -11.18 21.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.441 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 0.1 OUTLIER -116.58 5.99 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.551 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' 2' ' 23' ' ' TYR . 2.3 p -39.69 112.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.51 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -166.39 164.23 10.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.51 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.8 2.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER 179.73 -19.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.939 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.441 ' HG2' ' CD2' ' 2' ' 25' ' ' HIS . 0.6 OUTLIER -98.17 -44.75 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 95.6 m -54.42 -56.7 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.27 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -9.52 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.26 -37.44 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.47 ' HD3' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.75 -28.54 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.512 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 120.41 27.41 1.99 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 67.6 m -112.51 173.07 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.6 t -117.6 125.02 50.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 78.7 t80 -92.79 119.17 31.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.9 t70 -87.4 -83.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 88.22 -15.74 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -64.77 -40.77 95.81 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -122.07 109.62 33.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.38 16.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.3 -6.81 62.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.616 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.4 m -120.96 -177.96 0.54 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.616 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.46 29.4 1.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.578 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 25.3 t -170.21 111.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -149.91 -168.01 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.79 70.6 48.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.689 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.88 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.518 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -94.7 36.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.564 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.2 mm100 -51.77 -19.56 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 11.9 pt-20 -41.44 -23.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.51 -60.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.38 17.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -95.94 -51.46 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.9 t -70.86 -33.46 70.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.45 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 1.9 tt0 -88.32 74.95 8.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.562 ' N ' ' CD1' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -64.11 70.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.492 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 58.8 t -119.86 -62.05 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.462 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -73.39 10.99 5.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -144.49 14.17 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 0.737 . . . . 0.0 109.239 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.401 ' HB3' ' O ' ' 1' ' 3' ' ' TYR . 23.7 p -108.76 174.51 5.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.528 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -63.5 84.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.87 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.525 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -58.68 -33.84 70.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.25 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.68 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 53.6 t -63.49 -7.53 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 108.364 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -105.45 21.38 17.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.392 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -42.99 167.21 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 4.34 4.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.547 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 83.5 50.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.473 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 173.95 44.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.535 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 49.9 t0 -152.36 11.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 5.4 mtt180 -92.08 173.12 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.3 20.79 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.45 86.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.558 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -46.94 -34.08 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.354 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.6 60.87 5.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.646 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.34 143.44 27.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -7.74 19.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.24 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.526 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -40.03 125.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.483 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -168.08 155.47 7.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 54.02 3.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.512 1.796 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 109.345 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -99.15 -44.62 6.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.2 m -55.51 -52.45 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.397 1.061 . . . . 0.0 108.246 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.447 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.43 -2.38 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -101.68 -32.54 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.646 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.04 -23.97 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.41 25.22 2.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -116.62 178.99 4.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -124.15 125.65 44.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 57.9 t80 -90.11 121.84 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.5 t70 -89.88 -82.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.9 OUTLIER 89.87 -20.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.409 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 7.1 mtp180 -51.68 -55.91 16.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.547 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -115.65 126.57 27.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.29 21.44 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.66 -8.14 62.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.572 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.82 169.4 6.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 0.746 . . . . 0.0 109.313 -179.929 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.543 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.08 110.35 3.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.89 30.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.2 t -168.56 102.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 108.334 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -144.83 -172.06 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 111.048 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.35 71.97 26.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.68 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -98.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.436 1.756 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.6 OUTLIER -93.74 32.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.567 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.6 mm-40 -51.4 -19.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.212 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.09 -27.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.56 -74.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.21 24.14 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.2 t -105.54 -53.07 2.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.235 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.447 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -82.8 -33.41 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.472 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 50.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.58 -127.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' 2' ' 7' ' ' SER . 4.2 p90 -90.52 77.18 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.441 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 16.4 m -131.87 -57.08 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.518 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -69.42 5.53 5.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -154.0 21.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 179.915 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' 2' ' 3' ' ' TYR . 2.4 t -108.63 149.57 28.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.427 ' HA ' HD21 ' 2' ' 52' ' ' LEU . . . -60.8 86.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.36 -26.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.077 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.519 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 0.0 OUTLIER -59.32 -30.45 68.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.836 ' SG ' ' HG2' ' 2' ' 51' ' ' PRO . 2.5 m -64.85 -9.55 21.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 108.284 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.46 18.42 14.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.563 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -44.62 167.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.563 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.5 Cg_endo -74.91 27.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' 2' ' 13' ' ' VAL . . . 45.22 63.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.53 36.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.455 ' HB3' HG23 ' 2' ' 13' ' ' VAL . 34.2 t0 -160.68 15.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.679 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.4 mtt180 -89.13 -179.99 6.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.5 t -112.09 19.84 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.41 90.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.92 -33.33 56.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.44 50.85 58.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.09 138.26 39.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -7.12 18.84 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -121.41 19.27 11.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.639 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.542 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -38.41 118.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.492 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER -166.75 151.63 7.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.492 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.11 50.12 2.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.579 1.831 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -174.83 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -96.65 -43.21 7.66 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.7 m -61.96 -56.1 22.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.9 m-80 -64.6 -5.28 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -102.97 -29.41 11.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.472 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.49 -32.63 19.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.541 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 130.69 22.4 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.6 m -123.1 161.67 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.565 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 34.3 t80 -89.38 120.58 30.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -80.02 -84.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.15 -22.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -67.39 -41.04 85.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.491 HD13 ' CB ' ' 2' ' 15' ' ' ALA . 1.3 mt -120.76 106.72 39.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.89 16.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.85 65.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.597 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.7 -175.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.597 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.42 26.47 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 17.2 t -169.84 101.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.67 -168.51 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 67.54 60.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.836 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.94 -97.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.602 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -95.23 36.35 1.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 23.1 mm100 -44.58 -23.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -36.5 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.09 -64.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.63 13.62 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.476 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.51 -56.63 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.475 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 13.7 t -69.99 -41.14 74.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.442 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.475 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.594 1.184 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' 1' ' 2' ' ' GLU . 2.9 pt-20 -89.71 80.83 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' 1' ' 3' ' ' TYR . 2.5 m-85 -65.68 66.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 67.0 t -127.09 -56.15 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.467 ' O ' ' HG3' ' 1' ' 10' ' ' GLN . . . -70.27 1.2 20.38 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.76 15.03 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.502 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 7.6 t -108.01 -159.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.486 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -59.16 82.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 166.44 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.513 ' O ' ' HB ' ' 1' ' 13' ' ' VAL . 0.0 OUTLIER -60.6 -33.04 72.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.636 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 43.0 t -66.51 -5.77 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 108.249 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.92 11.2 32.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' 1' ' 10' ' ' GLN . 0.5 OUTLIER -46.94 164.39 0.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.92 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.444 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.94 28.21 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' 1' ' 13' ' ' VAL . . . 49.14 62.67 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.52 34.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -159.44 16.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.82 170.63 9.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.196 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 89.3 t -99.6 18.48 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 31.8 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.55 -34.12 48.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.254 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.18 60.22 2.0 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.659 ' CE2' ' HD3' ' 1' ' 34' ' ' ARG . 1.2 m-85 -91.92 156.55 42.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.791 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 1.3 m170 -109.81 9.78 24.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.618 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.575 ' HA ' ' NH2' ' 1' ' 34' ' ' ARG . 2.1 p -38.2 114.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -166.76 155.33 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.607 ' HB3' ' CD1' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 55.19 3.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.75 -24.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.447 ' O ' ' HB3' ' 1' ' 33' ' ' ASN . 0.7 OUTLIER -97.05 -40.6 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.6 m -61.39 -54.45 43.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.355 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m-80 -70.52 4.15 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.466 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 26.2 t30 -107.35 -32.04 7.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.659 ' HD3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -88.66 -33.15 17.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 133.89 24.17 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.473 ' SG ' ' HD2' ' 1' ' 34' ' ' ARG . 60.8 m -116.6 166.81 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.527 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 1.9 t -116.3 123.38 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.607 ' CD1' ' HB3' ' 1' ' 28' ' ' PRO . 36.1 t80 -93.22 121.27 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.6 t70 -86.55 -82.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 87.94 -16.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -63.28 -42.84 99.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.468 ' CD1' ' HB1' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -121.78 111.82 32.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.42 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.624 1.855 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.47 -6.3 61.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.627 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.4 m -120.04 -178.05 0.53 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.627 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 115.99 4.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.403 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.14 28.5 1.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 108.016 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 38.8 t -171.44 110.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.0 -169.07 3.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.534 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.15 70.51 21.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.636 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -101.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -91.94 35.49 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.534 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm-40 -55.0 -26.43 36.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.282 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -38.9 -29.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.93 -62.01 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.27 15.7 7.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -91.34 -81.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.503 ' CB ' ' HG3' ' 2' ' 54' ' ' GLU . 1.1 t -53.85 -34.22 58.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 44.4 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' 2' ' 4' ' ' VAL . 0.5 OUTLIER -90.44 -134.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.553 ' N ' ' CD1' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -63.9 71.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.395 1.06 . . . . 0.0 110.962 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 77.8 t -127.43 -53.24 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.413 ' O ' ' OE1' ' 2' ' 10' ' ' GLN . . . -70.11 -1.33 33.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.524 ' N ' ' CD1' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -131.08 9.56 4.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.459 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -105.88 -164.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.92 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.489 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -57.62 86.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' 2' ' 7' ' ' SER . 2.8 t-20 165.25 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.518 HE21 ' C ' ' 2' ' 51' ' ' PRO . 20.9 tt0 -64.28 -32.54 74.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.682 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 52.2 t -67.15 -2.35 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -119.18 10.64 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.535 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -41.38 166.83 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.535 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 27.52 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.563 1.823 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' 2' ' 13' ' ' VAL . . . 49.6 71.2 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.453 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 167.86 41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.447 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 18.3 t70 -163.57 13.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 16.8 mtt180 -91.09 169.4 10.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.5 t -95.31 15.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.389 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 34.63 80.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.698 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 5.6 t -44.31 -39.58 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.15 61.4 2.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.698 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -91.55 153.28 44.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -5.62 17.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -124.54 8.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.549 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.473 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -38.17 116.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.493 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -167.98 162.57 9.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.43 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.493 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.04 49.47 2.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.1 OUTLIER -179.28 -18.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.148 . . . . 0.0 109.362 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.416 ' HB2' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -99.13 -44.83 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.473 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.9 m -56.36 -57.48 12.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 108.278 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.32 -13.14 11.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.221 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.5 t30 -89.62 -34.17 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.432 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.25 -25.87 29.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 116.86 25.02 3.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.535 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . 84.6 m -115.43 170.07 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.3 t -114.58 128.33 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.323 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 73.0 t80 -94.62 117.36 30.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.9 t70 -84.47 -82.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.549 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 2.1 t 88.03 -15.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -42.67 96.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.49 ' CD1' ' HB3' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.96 110.98 32.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.84 17.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.572 1.827 . . . . 0.0 110.973 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.42 -5.96 64.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.567 1.167 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.617 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.5 m -121.34 -178.54 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.617 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.9 117.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.58 1.832 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.44 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -92.65 29.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 107.949 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.626 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 22.1 t -169.99 106.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 108.333 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -147.54 -168.56 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -119.7 70.13 13.11 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.687 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.04 -96.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -101.47 41.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.538 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 19.5 mm100 -49.14 -18.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.36 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' HG3' ' CB ' ' 1' ' 58' ' ' THR . 8.4 mt-10 -43.34 -23.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -39.61 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -113.9 13.78 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -91.57 -68.99 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.472 HG22 ' N ' ' 2' ' 59' ' ' PHE . 15.0 t -53.08 -31.25 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.475 ' C ' ' NE2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -67.25 68.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' 1' ' 1' ' ' GLU . 18.4 m-85 -76.25 91.23 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.44 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 6.0 m -130.28 -63.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.424 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -66.22 1.72 4.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.132 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -153.86 33.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 -179.945 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -87.97 179.79 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 109.972 -179.92 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.493 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -66.78 -9.55 38.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.69 -6.05 44.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.555 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -66.82 -34.75 78.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.657 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 44.9 t -74.56 -1.25 20.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -111.16 10.28 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -40.1 160.97 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.49 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.92 29.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.564 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 49.7 74.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.9 50.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -165.95 -25.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -50.38 174.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.84 18.3 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.9 OUTLIER 34.73 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.47 -32.63 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.89 59.2 4.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.673 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -90.87 143.52 28.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 18.6 Cg_endo -74.94 -8.99 20.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -120.3 15.39 12.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.622 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.545 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -41.53 126.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.477 HG23 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -166.94 153.73 8.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 53.13 3.26 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.46 -17.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -101.11 -44.98 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 48.3 m -55.68 -51.26 67.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -69.15 -2.14 9.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -105.02 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.673 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.41 -24.28 29.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.26 24.87 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.514 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -119.12 -179.61 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -125.69 125.49 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 59.0 t80 -92.41 120.22 32.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.7 t70 -89.31 -81.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.02 -17.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.658 1.224 . . . . 0.0 109.962 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.54 -45.29 94.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.564 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -119.04 118.81 32.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.22 21.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.69 -10.15 63.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.544 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -109.16 173.0 3.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.517 0.775 . . . . 0.0 109.244 -179.923 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.544 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.51 29.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 108.024 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 19.3 t -169.35 106.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.46 -170.54 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 71.69 23.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.05 -96.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.09 32.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.0 mm100 -51.77 -20.57 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.465 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 2.2 tm-20 -39.02 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.17 -65.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.03 25.83 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -63.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.322 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.462 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -66.92 -42.26 85.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.462 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -76.5 -119.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.66 62.87 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 33.4 m -119.65 -53.27 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.359 -179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . . . -71.79 5.23 12.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.61 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -131.28 -2.34 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' 2' ' 10' ' ' GLN . 39.1 p -107.99 -160.64 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.761 ' O ' ' CB ' ' 2' ' 9' ' ' ASN . . . -56.11 125.6 22.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.761 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 0.9 OUTLIER 114.0 -30.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.516 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -57.36 -39.42 75.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.665 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 24.9 t -62.73 -6.47 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' 2' ' 10' ' ' GLN . . . -98.93 14.07 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -41.11 160.55 0.14 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.485 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.02 29.27 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.56 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 49.75 75.42 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 162.99 49.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.07 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 11.4 t70 -165.08 -26.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.685 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 14.7 mtt180 -47.9 178.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.485 ' O ' ' O ' ' 2' ' 20' ' ' ASP . 23.4 t -115.29 21.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.15 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.555 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 56.53 23.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.424 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.55 141.25 27.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.39 21.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.532 1.806 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.45 31.43 5.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.523 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.1 p -51.43 120.01 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.445 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -168.72 154.97 6.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.445 ' N ' HG22 ' 2' ' 27' ' ' THR . 18.0 Cg_endo -75.03 50.8 2.63 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.907 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.26 -22.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -99.04 -45.6 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 12.6 m -62.95 -54.31 40.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.96 -4.65 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -104.3 -29.4 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.461 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.14 -34.01 19.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 130.52 26.48 0.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.5 m -120.8 170.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.492 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.2 t -117.74 127.31 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.362 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.6 t80 -98.55 117.33 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.3 t70 -84.66 -80.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 87.97 -18.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -58.27 -50.73 72.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.56 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -116.66 124.39 29.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -14.76 21.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.0 67.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.563 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.21 169.96 6.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.563 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.05 115.81 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.427 ' O ' ' CD1' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -88.01 28.51 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 108.036 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 19.3 t -171.03 102.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.355 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.685 ' CD2' ' HG2' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -139.84 -172.98 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.945 -179.908 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.448 ' NZ ' ' HA ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -120.87 68.48 16.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.98 -109.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.761 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.607 ' CD2' ' O ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.13 38.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 39.6 mm-40 -50.6 -20.88 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -40.85 -23.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.61 -66.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -140.24 15.57 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.486 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.43 -56.94 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.454 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 6.4 t -66.37 -42.28 88.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 11.6 pm0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.8 41.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -89.37 81.44 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.01 -52.01 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.445 ' O ' ' OE1' ' 1' ' 10' ' ' GLN . . . -69.81 -1.58 32.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.461 ' N ' ' CD1' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -131.11 13.24 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.538 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 98.6 p -107.0 -167.65 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.52 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -55.53 83.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 169.04 -33.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.445 ' OE1' ' O ' ' 1' ' 5' ' ' GLY . 16.5 tt0 -64.35 -31.73 73.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.671 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 40.4 t -66.28 -5.52 10.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 108.249 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -109.92 12.71 23.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -40.17 162.53 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 29.1 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.573 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 49.81 73.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.4 50.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.239 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -165.71 -27.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.9 mtt180 -49.04 175.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.465 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 84.2 t -108.06 17.89 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 34.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.06 -36.58 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.275 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.01 61.65 5.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.622 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.46 141.28 24.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.933 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.75 14.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 17.91 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.54 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -41.75 128.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.88 153.68 8.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 52.4 3.04 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.92 -20.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -96.6 -44.08 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.341 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.54 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.9 m -56.47 -51.3 68.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 0.0 108.252 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.455 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -68.75 -2.77 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.7 t-20 -104.53 -28.62 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.11 -24.84 30.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.4 25.12 2.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 28.2 m -120.49 -179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -125.57 125.27 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 108.282 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.7 t80 -91.38 121.36 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 18.7 t70 -90.32 -82.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -17.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.573 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.65 119.0 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.421 1.748 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.62 -9.84 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.538 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER -109.59 172.93 3.23 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -88.88 30.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 107.977 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.2 t -169.85 103.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -144.73 -170.95 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.94 70.38 14.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.52 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -92.78 32.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.4 mm-40 -54.74 -20.78 9.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.8 -26.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.16 -70.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -128.36 23.93 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.5 t -104.23 -55.28 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.424 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.1 t -86.54 -37.62 18.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' 2' ' 2' ' ' GLU . 2.0 pt-20 -90.01 72.63 7.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.403 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -91.78 72.44 5.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.941 -179.93 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 11.2 m -130.21 -60.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' 2' ' 6' ' ' LEU . . . -67.62 6.0 2.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -155.93 32.11 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 0.798 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.576 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 0.1 OUTLIER -105.29 175.83 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.464 ' HA ' ' CD2' ' 2' ' 52' ' ' LEU . . . -70.41 -3.87 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -102.08 0.43 34.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.576 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -64.23 -43.02 96.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.629 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 46.4 t -70.93 -2.09 14.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -108.44 18.5 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -43.33 165.81 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' 2' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 2.21 6.89 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.574 1.829 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' 2' ' 14' ' ' PRO . . . 86.65 49.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.486 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER 174.86 45.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 52.9 t0 -153.82 11.53 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.684 ' NH1' ' CZ ' ' 2' ' 49' ' ' PHE . 6.2 mtt180 -91.09 177.89 6.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 17.5 t -112.97 24.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.092 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.91 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.8 t -48.77 -34.86 13.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 57.02 21.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -90.13 138.1 27.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.09 -4.87 16.02 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.493 1.786 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 19.95 9.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.571 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -41.79 122.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.474 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -169.08 154.8 6.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.592 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 48.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttp -176.22 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 1.2 mp0 -99.92 -43.99 6.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 80.6 m -61.75 -57.17 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.336 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.56 -3.32 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -103.63 -29.68 10.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.478 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.86 -31.99 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 129.01 24.56 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.1 m -120.6 169.47 10.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.52 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -111.87 133.69 53.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.271 -179.925 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.5 t80 -88.62 124.24 33.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -61.52 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 2.0 t 90.46 -8.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 3.5 mtp180 -91.41 -58.09 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.54 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER -119.63 125.99 27.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.22 19.96 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.07 -7.71 60.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.532 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -103.76 172.51 4.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.532 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.541 ' HA ' ' CB ' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -86.96 31.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 108.045 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.2 t -173.72 96.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.203 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.702 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -135.85 -175.97 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.75 69.5 35.51 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.697 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.95 -100.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.576 ' CD2' ' O ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -99.6 36.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 37.4 mm-40 -47.26 -22.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.2 OUTLIER -35.8 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.49 -61.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 15.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.484 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -89.93 -58.52 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.431 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 6.8 t -71.16 -36.51 72.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 4.6 tt0 -91.37 83.31 5.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.79 71.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 97.7 t -131.01 -53.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.46 ' C ' ' CD1' ' 1' ' 6' ' ' LEU . . . -60.25 -11.59 20.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.69 ' HA ' ' HB2' ' 1' ' 10' ' ' GLN . 0.0 OUTLIER -135.03 29.23 3.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.673 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 1.1 p -111.07 151.05 28.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' 1' ' 10' ' ' GLN . . . 33.91 -87.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.673 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.4 OUTLIER -39.83 -24.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.69 ' HB2' ' HA ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -54.88 -50.42 68.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.663 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 14.4 t -64.9 -4.31 4.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 108.35 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -104.1 21.36 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.543 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -42.64 167.64 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.463 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.91 5.82 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.494 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 81.59 46.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.448 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER -179.87 44.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.914 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.543 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 29.5 t70 -154.69 11.35 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.573 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 4.8 mtt180 -92.18 175.06 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -107.99 20.72 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.78 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -53.24 -34.5 57.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.382 1.051 . . . . 0.0 108.291 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.69 54.62 35.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.414 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.22 139.37 27.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.949 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.93 -6.85 18.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -128.6 37.83 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.528 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.2 p -56.15 120.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.41 HG23 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.1 152.97 6.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.05 58.58 4.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.4 ttmt 178.92 -25.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.5 mt-10 -98.62 -45.62 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -63.4 -54.86 30.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -64.9 -5.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -106.11 -27.26 11.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.62 -30.18 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.431 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.99 23.33 1.31 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.506 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 64.3 m -120.28 177.25 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.546 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -123.36 127.81 49.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.203 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 47.1 t80 -91.58 120.52 32.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.585 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -81.95 -83.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 85.03 -23.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.932 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.408 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 5.2 mtp180 -64.58 -43.42 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.494 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.01 109.85 35.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.082 . . . . 0.0 109.251 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.53 -3.45 62.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.58 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.47 -176.99 0.43 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.58 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.24 5.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.562 1.822 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.468 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.12 25.97 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.517 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 37.1 t -168.62 104.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.266 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.6 -171.16 3.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.19 69.33 29.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.663 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -75.04 -104.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.442 1.759 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.503 ' CD2' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -86.48 31.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 35.1 mm-40 -51.73 -18.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -41.57 -25.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.91 -67.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -131.24 23.65 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 t -103.82 -53.51 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.974 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.428 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.0 t -68.35 -42.7 78.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -90.24 71.45 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.7 63.38 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.418 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -121.45 -56.47 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.412 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -70.37 5.77 6.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.085 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -144.61 25.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -100.78 171.2 7.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -72.28 -4.35 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.47 -6.7 36.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -67.05 -34.58 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.651 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 41.5 t -73.77 -0.51 15.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 108.362 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' 2' ' 13' ' ' VAL . . . -108.29 10.29 27.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.523 HG13 ' N ' ' 2' ' 15' ' ' ALA . 1.3 t -38.11 152.02 0.16 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.491 ' N ' HG13 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 38.92 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.523 ' N ' HG13 ' 2' ' 13' ' ' VAL . . . 47.61 65.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.25 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.512 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 19.3 t0 -161.85 11.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.64 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 2.9 mtt180 -92.15 176.37 6.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 47.2 t -108.36 18.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 34.02 89.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.88 -33.36 61.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.18 56.92 18.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.413 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.45 141.6 27.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 111.016 179.923 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.08 19.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.58 32.11 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.495 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.3 p -51.91 117.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.458 ' HA ' ' CE1' ' 2' ' 38' ' ' PHE . 0.4 OUTLIER -167.31 155.6 8.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.452 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.02 50.8 2.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -174.38 -23.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -98.1 -45.98 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.325 179.927 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.8 m -63.31 -56.84 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 108.31 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -62.68 -6.71 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 19.8 t30 -103.72 -27.75 12.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.2 -25.88 21.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.501 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.67 22.56 2.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.0 m -120.3 166.57 13.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.474 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.8 t -114.64 126.29 54.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.547 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 52.3 t80 -92.31 119.97 32.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.8 t70 -85.3 -82.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.547 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 85.33 -13.04 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -44.31 80.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.503 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.1 mt -122.51 111.28 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.29 15.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.458 1.767 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.6 -6.39 64.11 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.591 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -122.13 -176.46 0.42 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.21 28.13 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 -179.938 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.51 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 48.9 t -169.2 110.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' CD2' ' HG2' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -147.22 -167.71 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.538 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.3 70.16 42.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.651 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.1 Cg_endo -74.97 -94.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -98.91 38.17 1.42 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.538 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -50.78 -19.52 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.8 OUTLIER -41.35 -24.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -27.96 -72.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -135.02 10.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.1 -59.04 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.426 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 14.5 t -48.77 -40.98 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 51' ' ' PRO . 5.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . 0.535 ' HB2' ' CE2' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.28 59.13 4.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' 1' ' 1' ' ' GLU . 0.4 OUTLIER -92.0 101.09 13.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.408 HG21 ' N ' ' 1' ' 5' ' ' GLY . 33.1 m -113.22 -52.01 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.517 ' O ' ' CG ' ' 1' ' 10' ' ' GLN . . . -70.97 1.9 21.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -131.88 13.52 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.74 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.485 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 39.3 p -106.55 -169.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.557 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -57.25 85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 166.21 -32.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' 1' ' 5' ' ' GLY . 8.7 tt0 -63.86 -34.59 78.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 110.334 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.66 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 43.4 t -63.14 -5.48 3.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.312 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -102.99 18.18 22.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -43.78 167.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.508 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 2.82 6.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.572 1.827 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.521 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 85.36 47.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.47 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 176.54 43.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 31.3 t70 -151.13 11.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.608 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.9 mtt180 -92.11 -178.36 4.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -112.82 21.82 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.33 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -50.19 -33.51 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.247 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.74 54.01 37.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.578 1.174 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -88.88 137.88 29.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -4.96 16.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -129.4 37.89 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.538 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -56.94 123.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.456 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.5 OUTLIER -167.49 150.95 5.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 55.19 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.827 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 10.9 tttt 179.54 -23.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -97.36 -45.35 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.538 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.4 m -63.12 -56.38 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.238 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.506 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -63.29 -6.26 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -106.34 -24.99 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.544 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.0 -27.82 21.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 125.75 23.18 1.7 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 83.5 m -120.39 178.16 4.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 12.0 t -123.85 127.67 48.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 40.7 t80 -87.93 124.44 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 36.6 t0 -79.24 -88.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.3 t 87.61 -24.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.405 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 18.4 mtp180 -71.77 -44.42 64.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.204 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.521 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -120.2 105.92 41.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.55 15.57 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.72 64.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.608 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.2 -175.72 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.579 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 121.34 6.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.523 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -93.98 28.09 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 23.7 t -166.49 101.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.15 -170.14 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.616 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 67.14 39.67 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.66 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.97 -94.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.626 ' CD2' ' C ' ' 1' ' 52' ' ' LEU . 0.0 OUTLIER -88.68 26.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.616 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 71.9 mm-40 -57.41 -26.28 60.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.49 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.5 pp20? -40.29 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' 1' ' 59' ' ' PHE . . . -46.64 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -97.92 20.17 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 6.2 t -106.9 -62.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.494 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -92.45 -4.65 53.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.532 ' CD1' ' O ' ' 1' ' 55' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' 2' ' 3' ' ' TYR . 0.3 OUTLIER -90.0 -130.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.409 ' H ' ' CG ' ' 2' ' 2' ' ' GLU . 47.5 m-85 -79.51 79.66 5.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 71.7 t -123.57 -57.91 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.47 ' C ' ' CD1' ' 2' ' 6' ' ' LEU . . . -63.96 -6.72 19.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.158 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -138.34 31.0 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' 2' ' 52' ' ' LEU . 0.4 OUTLIER -97.03 -156.51 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.115 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.515 ' HA ' ' CD2' ' 2' ' 52' ' ' LEU . . . -74.76 5.8 4.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.16 . . . . 0.0 109.383 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' 2' ' 7' ' ' SER . 0.4 OUTLIER -105.21 -8.82 18.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.577 HE21 ' C ' ' 2' ' 51' ' ' PRO . 17.5 tt0 -67.73 -31.87 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.223 -179.906 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' 2' ' 37' ' ' CYS . 2.8 m -61.07 -11.09 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 108.363 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -116.7 21.89 13.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -41.54 166.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 26.5 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.567 1.825 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.563 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 47.29 70.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.84 42.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.925 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.485 ' HB3' HG23 ' 2' ' 13' ' ' VAL . 34.6 t0 -164.53 13.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 20.4 mtt180 -91.31 179.77 5.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.469 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 25.5 t -108.11 16.79 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.494 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.81 84.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.651 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 3.2 t -49.15 -36.63 19.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.31 61.0 3.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.651 ' CE2' ' SG ' ' 2' ' 21' ' ' CYS . 0.2 OUTLIER -91.2 148.67 38.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.3 m-70 -126.47 12.25 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.505 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -39.13 115.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.479 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -164.42 160.11 15.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.479 ' N ' HG22 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.03 48.46 2.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 15.7 tttt -177.74 -16.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.413 ' HB2' HG21 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -101.11 -44.24 5.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.23 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.505 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 83.1 m -57.87 -56.33 23.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 108.209 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.31 -12.56 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.469 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 36.0 t-20 -93.72 -29.61 15.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.458 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.06 -26.08 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.483 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.66 26.81 2.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.6 m -122.57 166.1 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' 2' ' 11' ' ' CYS . 0.5 OUTLIER -112.32 122.02 46.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 108.277 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 52.5 t80 -87.24 122.63 31.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.0 t70 -89.99 -81.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.61 1.194 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.18 -14.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -66.05 -41.38 90.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.563 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.84 110.62 31.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -5.3 16.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.965 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -8.02 65.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.1 m -121.62 -177.26 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.371 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 117.5 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.544 ' O ' ' CD1' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.04 27.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 35.1 t -171.43 101.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.64 -167.22 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 67.77 19.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.814 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -96.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.555 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -95.19 42.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.553 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.6 mm100 -59.57 -21.61 60.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 45.8 mt-10 -48.67 -22.41 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.22 -59.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 14.7 mt-10 -152.02 22.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.415 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -105.07 -65.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 108.288 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 0.8 OUTLIER -56.78 -52.34 65.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 0.0 OUTLIER -83.59 73.89 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -54.29 86.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 1.18 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 34.8 m -113.29 -54.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.83 3.69 18.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -137.84 16.65 2.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.91 -168.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.645 ' O ' ' HB2' ' 1' ' 9' ' ' ASN . . . -66.09 89.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.645 ' HB2' ' O ' ' 1' ' 8' ' ' ALA . 0.9 OUTLIER 155.14 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.625 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 9.6 pt20 -57.17 -37.58 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.655 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 37.3 t -60.38 -11.74 7.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.353 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.11 17.37 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.536 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -49.48 166.44 0.25 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.536 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 28.46 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.501 ' CB ' HG21 ' 1' ' 45' ' ' VAL . . . 46.4 62.36 2.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 35.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.439 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 14.6 t70 -161.39 18.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.368 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.543 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.72 170.53 10.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 45.6 t -96.59 18.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.69 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.28 -35.85 28.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.63 62.3 4.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -90.64 144.0 29.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.97 21.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -122.93 18.51 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.531 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.3 127.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.508 HG23 ' N ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER -164.55 151.24 9.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.442 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 52.55 3.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.521 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.06 -20.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.612 1.195 . . . . 0.0 109.318 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -97.8 -43.69 7.04 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.9 m -55.99 -52.06 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -66.86 -6.12 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -102.71 -26.69 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.604 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.77 -23.32 29.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.44 25.16 2.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.506 ' CA ' ' O ' ' 1' ' 49' ' ' PHE . 38.6 m -120.71 -177.05 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.585 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -128.19 126.23 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.249 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.28 121.57 30.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.24 -82.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.4 OUTLIER 85.47 -23.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.433 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 4.1 mtp180 -62.27 -44.42 96.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.502 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -119.79 107.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.5 1.789 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.92 -3.98 61.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.562 ' CB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -122.01 -175.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.1 118.38 5.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.565 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -92.71 30.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.055 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.3 t -168.83 108.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.374 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.603 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.25 -170.45 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.48 70.01 23.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.655 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.5 Cg_endo -74.98 -100.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.55 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -90.14 33.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.564 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.3 mm-40 -56.21 -23.85 38.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.26 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.96 -78.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.01 24.32 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 6.7 t -105.36 -60.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.186 . . . . 0.0 108.269 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.451 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.1 t -63.42 -29.21 70.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.3 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -82.66 60.95 5.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -90.16 74.68 7.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -122.14 -49.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.435 ' O ' ' OE1' ' 2' ' 10' ' ' GLN . . . -70.22 -1.89 37.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.482 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -127.62 6.88 6.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.483 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 2.7 t -109.31 -160.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' 2' ' 9' ' ' ASN . . . -56.56 86.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' 2' ' 7' ' ' SER . 3.1 t-20 162.51 -26.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.546 HE21 ' C ' ' 2' ' 51' ' ' PRO . 17.3 tt0 -65.62 -30.35 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' 2' ' 37' ' ' CYS . 6.1 m -58.72 -13.62 6.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.447 1.092 . . . . 0.0 108.287 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -110.82 23.06 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.557 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.62 168.03 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.557 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 25.34 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.571 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 46.39 67.62 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.495 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 164.08 42.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.481 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 32.0 t0 -164.5 16.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 19.4 mtt180 -90.26 -178.3 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 47.1 t -110.14 18.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 33.34 84.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 5.3 t -49.61 -37.22 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 108.243 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.04 61.58 3.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.63 ' CE2' ' SG ' ' 2' ' 21' ' ' CYS . 0.2 OUTLIER -91.27 149.38 39.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 0.794 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -7.03 18.74 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -123.63 12.59 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.616 179.902 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.507 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -38.11 115.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.516 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -161.68 157.23 20.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.475 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.516 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 48.56 2.03 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.59 1.837 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 4.5 tttt -178.44 -17.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.207 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.459 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -99.55 -43.53 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 96.1 m -56.98 -55.86 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.07 -10.34 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -95.02 -31.71 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.46 ' HB2' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -85.45 -27.81 25.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.542 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 121.5 26.53 1.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 82.6 m -123.22 164.32 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 1.249 ' SG ' ' SG ' ' 2' ' 11' ' ' CYS . 0.5 OUTLIER -111.45 122.74 48.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 34.0 t80 -85.35 123.03 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.587 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.75 -82.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -64.05 -44.32 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.571 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -117.37 109.3 42.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.8 17.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.781 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.43 -3.97 62.72 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.548 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -121.16 -177.57 0.5 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.16 4.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.534 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.84 27.91 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 107.991 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.7 t -171.18 101.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.696 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.82 -167.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.544 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.16 66.93 43.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.816 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.05 -96.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.422 1.749 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -96.06 42.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.544 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.7 mm100 -57.07 -16.98 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.475 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -48.14 -19.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.78 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.77 10.9 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 1.3 t -86.61 -61.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.429 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 11.8 t -49.56 -38.62 31.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 110.952 -179.975 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -80.27 -120.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -92.63 79.43 4.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -139.35 -51.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.429 ' C ' ' HB2' ' 1' ' 10' ' ' GLN . . . -64.62 -6.02 20.64 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.542 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 1.0 OUTLIER -142.94 16.94 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 109.276 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.89 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 9.3 t -106.42 107.2 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.613 ' O ' ' N ' ' 1' ' 10' ' ' GLN . . . 28.83 -76.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.89 ' N ' ' O ' ' 1' ' 7' ' ' SER . 11.1 t-20 -43.97 -13.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.681 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -52.73 -46.31 67.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.673 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 12.1 t -65.78 -3.25 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.12 15.26 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.549 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.46 167.77 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 27.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.54 ' CB ' HG21 ' 1' ' 45' ' ' VAL . . . 47.9 65.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.95 37.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.407 ' HB3' HG22 ' 1' ' 13' ' ' VAL . 8.0 t70 -161.23 16.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.9 mtt180 -91.38 171.69 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 48.6 t -98.69 17.27 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 32.97 85.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.73 -36.91 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.05 62.78 2.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.56 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.7 OUTLIER -91.64 156.32 43.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.23 20.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -132.58 53.43 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.502 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 0.9 OUTLIER -74.65 125.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.431 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.4 OUTLIER -165.29 157.22 13.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.04 55.61 4.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.13 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.52 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 1.1 mp0 -99.76 -48.8 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.3 m -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.448 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -66.98 -4.53 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 48.6 t-20 -104.75 -27.16 11.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.56 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.85 -25.08 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 -179.939 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.06 26.21 2.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.511 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.8 m -120.91 -177.84 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -129.53 122.16 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 108.276 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 54.8 t80 -87.93 123.55 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.5 t70 -90.39 -84.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 89.6 -15.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.936 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -64.28 -43.46 94.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.913 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.503 ' CD1' ' HB2' ' 1' ' 15' ' ' ALA . 1.1 mt -121.77 109.39 34.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.86 -6.24 62.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.57 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -122.14 -175.61 0.37 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.261 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.57 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 117.38 4.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -92.48 30.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 51.8 t -171.62 110.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -146.65 -168.34 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.613 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.55 69.26 15.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.681 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.4 Cg_endo -75.05 -100.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.564 ' C ' ' CD2' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -88.28 31.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.613 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.0 mm100 -53.33 -24.36 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.7 OUTLIER -38.0 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.2 -55.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -139.78 21.03 2.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 0.6 OUTLIER -96.6 -74.65 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -61.61 -41.71 97.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.539 ' O ' ' CG ' ' 1' ' 59' ' ' PHE . 70.4 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' 2' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -3.09 58.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' 2' ' 1' ' ' GLU . 0.1 OUTLIER -91.83 65.04 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 7.3 p -126.29 -52.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.477 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -70.58 5.6 7.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.462 ' O ' ' CD2' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -145.74 22.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 0.802 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.457 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 67.5 p -107.18 158.38 17.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.522 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -60.87 83.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' 2' ' 7' ' ' SER . 10.0 t-20 178.14 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.486 ' O ' HG21 ' 2' ' 13' ' ' VAL . 13.6 tt0 -59.73 -31.17 69.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.71 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 41.4 t -66.21 -6.89 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.58 22.37 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.595 HG23 ' CG ' ' 2' ' 18' ' ' ARG . 0.0 OUTLIER -41.86 167.64 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.504 ' O ' ' CB ' ' 2' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 3.15 5.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.532 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 83.93 48.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.444 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 173.59 43.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.536 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 58.9 t0 -151.82 12.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.595 ' CG ' HG23 ' 2' ' 13' ' ' VAL . 3.3 mtt180 -93.12 174.54 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 20.8 t -103.72 17.4 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.4 t0 34.67 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -50.9 -36.92 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 108.324 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.15 59.56 9.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.618 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.15 140.6 25.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.22 13.73 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.592 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.527 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -39.13 125.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.425 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.3 OUTLIER -165.43 154.85 11.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.571 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.88 47.25 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.6 tttp -179.55 -19.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -95.62 -44.5 7.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.527 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.9 m -55.63 -55.69 29.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.332 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.6 m-80 -61.35 -12.39 13.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.4 t30 -93.0 -30.28 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.618 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.81 -25.85 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.64 24.48 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.1 m -121.13 168.64 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.516 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -114.8 128.69 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.571 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 49.2 t80 -93.55 119.36 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 32.2 t70 -83.24 -81.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.73 -14.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.07 -45.95 79.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.059 . . . . 0.0 110.34 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.532 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -121.05 113.52 32.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -5.0 16.24 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.71 61.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.518 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.94 179.96 0.84 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.49 ' CD ' ' CB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 114.89 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.41 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -90.97 30.27 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 108.009 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.2 t -169.93 105.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.66 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.62 -167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 1.188 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.79 68.96 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.71 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.98 -93.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.522 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -101.37 40.05 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.527 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 24.0 mm100 -50.29 -20.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -40.29 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.317 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.31 -68.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.27 9.54 3.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.8 -53.0 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 108.262 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.417 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 4.1 t -73.08 -32.42 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 -179.963 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.542 ' HG2' ' CE2' ' 1' ' 3' ' ' TYR . 1.1 tp10 -87.62 -130.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.215 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.542 ' CE2' ' HG2' ' 1' ' 2' ' ' GLU . 0.8 OUTLIER -90.7 56.3 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.916 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 76.2 t -121.17 -42.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -74.04 7.45 15.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' 1' ' 3' ' ' TYR . 0.4 OUTLIER -132.48 8.29 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.237 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.76 179.89 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.988 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.542 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -70.76 -15.75 62.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.42 -1.83 50.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.634 ' HG3' ' N ' ' 1' ' 11' ' ' CYS . 0.0 OUTLIER -67.12 -35.98 80.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.668 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 41.5 t -70.7 -4.89 25.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.335 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -98.27 12.82 33.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.514 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.05 161.39 0.12 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.514 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.5 Cg_endo -74.98 28.88 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.563 1.823 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' 1' ' 13' ' ' VAL . . . 48.43 75.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 164.49 46.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -163.77 -23.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.6 mtt180 -50.57 -178.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 38.5 t -113.37 20.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 32.54 88.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -50.16 -34.97 24.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 108.28 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.73 59.46 6.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.617 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.05 143.48 28.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.972 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -8.88 20.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 35.4 m170 -119.76 13.03 12.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.532 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -37.87 125.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.507 HG21 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -167.73 154.82 7.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.389 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 53.17 3.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.66 -19.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -99.08 -43.95 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 59.9 m -56.13 -52.35 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.68 -1.98 8.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 18.2 t-20 -101.81 -33.36 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.617 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.64 -24.61 36.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.32 24.39 2.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.51 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.3 m -115.53 179.19 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.3 t -123.95 125.73 45.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 108.306 -179.921 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -89.32 120.03 30.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.563 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -83.15 -83.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.4 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 3.6 mtp85 -64.45 -44.52 90.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.2 107.82 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.08 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.439 1.757 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.73 -6.32 65.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.562 ' CB ' ' CD ' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -121.27 -175.57 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 119.41 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.45 27.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 108.072 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.524 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 14.9 t -167.99 109.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.66 -171.97 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.59 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.87 71.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.668 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.96 -99.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.542 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -91.66 33.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.59 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.5 mm-40 -53.53 -18.46 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.0 -25.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.6 -69.44 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -127.62 22.24 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.0 t -99.75 -73.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.422 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -50.53 -29.28 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.1 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.74 66.23 9.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.522 ' CG ' HD21 ' 2' ' 6' ' ' LEU . 4.7 m-85 -90.47 73.87 6.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 62.2 t -119.87 -53.35 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.32 2.12 22.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.522 HD21 ' CG ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -131.13 7.4 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 0.804 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 26.0 p -87.7 175.3 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.499 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -73.69 -3.67 29.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.8 -6.55 26.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.718 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -65.96 -38.05 87.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.688 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 31.9 t -68.53 -4.59 15.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -109.56 14.78 23.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.54 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.35 167.33 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.54 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 26.92 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.52 ' CB ' HG23 ' 2' ' 45' ' ' VAL . . . 50.77 71.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.469 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 168.67 39.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.414 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 8.1 t70 -163.44 15.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.614 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 14.4 mtt180 -92.44 170.34 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.1 t -92.8 13.31 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.481 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 1.4 t0 35.01 80.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.689 ' SG ' ' CD1' ' 2' ' 23' ' ' TYR . 2.2 t -47.84 -37.68 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 108.342 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.82 60.79 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.689 ' CD1' ' SG ' ' 2' ' 21' ' ' CYS . 1.2 m-85 -93.06 157.69 38.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -12.79 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.499 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 0.8 OUTLIER -115.4 5.05 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.5 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 2.3 p -38.02 115.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.467 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -165.26 161.53 14.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.491 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 49.96 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.99 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.499 ' HG2' ' CD2' ' 2' ' 25' ' ' HIS . 0.4 OUTLIER -93.28 -45.05 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 92.6 m -54.48 -57.09 12.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -12.78 12.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 8.1 t30 -88.48 -36.3 16.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.464 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.48 -25.81 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 117.68 24.28 3.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.2 m -112.61 170.92 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.568 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.31 125.43 52.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 108.316 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.597 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.7 t80 -91.84 119.57 31.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 24.4 t70 -88.02 -83.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.68 -16.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -61.93 -43.53 98.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.466 ' CD1' ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -121.93 110.21 33.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.94 14.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -8.2 63.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.593 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.46 -175.74 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.593 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.45 29.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 107.993 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.599 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 38.2 t -171.61 116.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 108.37 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.687 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -153.71 -166.9 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.528 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.2 69.57 20.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.718 ' C ' ' CD ' ' 2' ' 10' ' ' GLN . 18.2 Cg_endo -74.99 -104.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -91.29 39.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 23.0 mm100 -49.97 -19.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 12.2 pt-20 -42.71 -23.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.72 -66.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -138.45 15.79 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.07 -57.78 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.482 ' CG2' ' HB2' ' 2' ' 54' ' ' GLU . 7.0 t -66.59 -27.64 67.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' 1' ' 3' ' ' TYR . 0.3 OUTLIER -80.59 -139.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' 1' ' 7' ' ' SER . 3.0 p90 -92.3 77.91 5.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 26.7 t -133.09 -59.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.28 -3.11 11.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.527 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 0.0 OUTLIER -142.8 16.26 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.249 -179.977 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.836 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 13.8 t -110.59 117.41 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.595 ' O ' ' N ' ' 1' ' 10' ' ' GLN . . . 29.03 -79.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.836 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -37.47 -25.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 179.931 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.654 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -53.85 -47.75 70.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.689 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 20.9 t -61.16 -8.73 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 108.369 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -96.0 16.49 17.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.508 HG12 ' N ' ' 1' ' 14' ' ' PRO . 0.9 OUTLIER -37.83 159.12 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.984 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.508 ' N ' HG12 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 30.87 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.585 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 50.45 67.23 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 162.91 42.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.492 ' HB3' ' CG2' ' 1' ' 13' ' ' VAL . 41.5 t0 -161.86 14.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.563 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 16.0 mtt180 -91.82 173.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.9 t -101.48 17.46 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.492 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 34.12 85.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.637 1.211 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.636 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 4.1 t -46.82 -39.17 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.6 61.02 2.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' SG ' ' 1' ' 21' ' ' CYS . 1.5 m-85 -91.84 153.38 43.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.64 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -137.86 46.97 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.3 p -73.35 127.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.05 155.39 15.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.632 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.08 52.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -96.66 -46.76 6.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 9.5 m -55.4 -53.46 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.57 -6.64 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.7 t30 -101.3 -29.38 12.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -82.64 -28.08 30.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.512 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 123.66 27.09 1.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 74.5 m -119.47 -177.98 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 7.4 t -127.72 121.02 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 42.6 t80 -88.11 123.44 32.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.2 t70 -91.45 -80.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.64 -13.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -65.25 -43.47 91.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.3 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.585 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.88 111.64 32.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.54 -4.82 59.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.563 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -120.99 -177.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.548 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.4 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -91.17 28.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.4 t -171.99 107.25 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.665 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -140.38 -167.69 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.599 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.8 67.83 41.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.689 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -74.95 -100.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.542 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -87.57 36.25 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.599 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -59.72 -20.87 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -48.68 -21.1 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -44.49 -64.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.49 16.85 11.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 42.6 t -97.95 -87.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.473 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.8 t -44.71 -33.36 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 1' ' 58' ' ' THR . 40.1 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -90.55 -137.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.62 ' O ' ' CD2' ' 2' ' 3' ' ' TYR . 47.8 p90 -76.97 64.58 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' 2' ' 5' ' ' GLY . 13.3 m -115.09 -51.57 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.438 ' N ' ' CG2' ' 2' ' 4' ' ' VAL . . . -72.45 5.67 14.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -133.63 9.22 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 179.955 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 71.7 p -81.78 -171.83 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.52 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -73.29 -5.26 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -100.12 -6.6 26.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.386 179.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.575 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.6 OUTLIER -64.62 -39.04 93.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.712 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 19.6 t -63.19 -8.17 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.932 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -100.93 18.18 20.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.498 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -38.43 159.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.463 ' HB2' ' CE ' ' 2' ' 16' ' ' LYS . 18.4 Cg_endo -75.0 28.89 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.956 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.614 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 51.81 70.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 161.89 53.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 23.5 t70 -168.09 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.672 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -49.3 -179.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -114.95 18.45 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.52 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.85 -33.82 62.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.18 57.77 17.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -91.39 139.62 25.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.6 Cg_endo -74.9 -8.4 20.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -125.59 29.68 5.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.544 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.9 OUTLIER -50.08 121.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.447 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -169.6 155.35 5.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.447 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.6 Cg_endo -74.84 50.44 2.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -174.98 -22.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.995 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -97.89 -45.56 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.6 m -63.38 -55.38 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.1 -5.34 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 14.6 t30 -104.23 -29.58 10.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -86.49 -29.92 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.484 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.47 1.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.3 m -120.95 168.95 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.7 t -115.35 128.16 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.6 t80 -95.47 121.41 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.6 t70 -88.64 -84.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.574 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.9 OUTLIER 90.41 -17.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.97 -53.11 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.614 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -112.83 121.61 38.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.38 -8.92 65.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.575 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.59 170.96 4.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 113.65 3.83 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.92 28.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.522 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 18.8 t -169.52 101.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.691 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.6 -168.47 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 111.008 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.549 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.32 62.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.712 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.93 -98.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.52 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -94.42 38.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.549 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.5 mm100 -49.18 -20.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' 2' ' 52' ' ' LEU . 3.0 pt-20 -41.58 -25.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.85 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.72 14.77 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 6.7 t -92.82 -68.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.475 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 12.3 t -48.65 -22.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.21 -141.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.53 ' N ' ' CD1' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -74.16 73.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.433 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.2 OUTLIER -126.56 -64.03 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.65 3.34 5.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -152.01 22.42 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -72.88 177.5 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.059 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.504 ' HA ' ' CB ' ' 1' ' 52' ' ' LEU . . . -65.69 -13.22 58.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.55 -7.94 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.66 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 4.7 pt20 -66.01 -37.93 87.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.682 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 33.5 t -63.13 -8.48 7.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.359 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -98.6 14.46 28.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.533 HG12 ' N ' ' 1' ' 14' ' ' PRO . 0.8 OUTLIER -38.21 159.44 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.533 ' N ' HG12 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 30.93 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.519 ' C ' ' CG ' ' 1' ' 16' ' ' LYS . . . 51.17 68.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.519 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.55 42.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.372 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.513 ' HB3' ' CG2' ' 1' ' 13' ' ' VAL . 38.4 t0 -161.83 12.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 8.3 mtt180 -91.42 169.37 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 11.4 t -98.37 22.29 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.56 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 27.44 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.7 OUTLIER -48.39 -36.47 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.55 59.91 8.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.94 141.04 26.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 0.748 . . . . 0.0 110.931 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.89 19.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.607 1.846 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.5 32.15 5.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.56 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -54.15 128.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.447 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.3 OUTLIER -167.16 151.97 6.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.594 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 57.1 4.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.557 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 175.9 -22.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -98.73 -46.52 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 21.6 m -55.97 -51.71 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -67.55 -3.43 8.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.449 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t30 -105.64 -27.82 11.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.636 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.88 -25.79 29.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.457 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.04 25.49 2.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.8 m -121.22 -178.28 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 8.1 t -126.49 124.69 40.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.594 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 48.7 t80 -86.71 121.87 29.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -86.17 -82.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 84.35 -22.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.444 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 2.2 mtp-105 -62.55 -44.19 96.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.459 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -119.98 110.32 36.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.23 17.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.49 -2.5 63.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.565 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -121.46 -177.89 0.54 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.576 0.81 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.527 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 117.26 4.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.544 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.17 28.2 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 14.3 t -169.19 105.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.94 -170.15 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.585 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.11 69.24 38.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.682 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -75.01 -101.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.504 ' CB ' ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -88.66 33.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -56.3 -21.31 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.23 -25.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.3 -65.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.445 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.1 mt-10 -135.64 24.69 3.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -104.44 -55.21 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.9 t -68.51 -38.67 81.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 9.1 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -81.66 67.46 7.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.403 ' O ' ' HB3' ' 2' ' 7' ' ' SER . 13.5 m-30 -87.51 76.15 9.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -127.34 -59.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.476 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -69.3 7.35 3.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.612 1.195 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -150.24 29.64 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 22.8 p -102.87 172.62 6.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.088 179.906 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.3 -3.72 25.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.74 -2.51 32.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -66.17 -36.01 81.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 179.911 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.73 ' SG ' ' HG2' ' 2' ' 51' ' ' PRO . 6.9 m -68.12 -10.36 53.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 108.325 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -118.43 21.75 12.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.543 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.67 167.0 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.543 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 26.31 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.569 1.826 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.546 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 47.1 69.26 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 164.94 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.502 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 31.3 t0 -163.21 12.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.3 mtt180 -90.02 178.78 6.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 12.1 t -109.06 19.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.4 84.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.5 -37.1 16.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 108.328 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.04 59.28 7.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -90.82 142.83 28.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 179.948 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -2.35 12.42 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.413 1.744 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.4 t-160 -125.71 10.85 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.498 ' CG2' ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.62 122.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.517 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -167.39 158.05 9.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.963 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -75.02 48.1 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER 179.83 -15.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.8 OUTLIER -100.34 -45.17 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.475 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 97.8 m -55.67 -55.65 29.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.525 1.141 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.19 -11.32 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -91.53 -33.61 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.96 -25.18 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.513 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.42 25.71 2.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.062 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.2 m -121.87 162.46 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.514 ' N ' ' OE1' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -109.15 125.84 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 108.245 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.509 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 40.7 t80 -88.45 120.0 29.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.554 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.7 -83.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.3 t 85.6 -22.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -66.1 -41.83 90.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.546 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.09 107.65 37.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -5.33 16.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.14 -7.25 68.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.607 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.2 m -121.37 -175.54 0.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.607 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 121.11 6.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.525 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.46 26.61 2.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 10.5 t -168.81 105.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -144.68 -171.26 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.83 69.28 25.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.73 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -93.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.541 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.26 38.17 1.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.6 mm100 -51.26 -21.29 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -39.33 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.942 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.11 -65.13 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.07 14.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.5 -54.42 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 -179.989 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.419 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 6.5 t -61.68 -43.64 98.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.943 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.592 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 2.5 mt-10 -91.43 87.72 6.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.201 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 53.4 m-85 -34.61 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.041 179.915 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.592 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 18.5 m -105.1 -45.36 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.187 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' 1' ' 10' ' ' GLN . . . -73.45 6.62 15.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.642 ' CD1' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -121.87 -10.29 8.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 4.0 m -110.07 -156.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.674 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -55.61 143.01 31.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.674 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER 98.48 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.684 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -56.43 -34.97 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 1.209 ' SG ' ' SG ' ' 1' ' 37' ' ' CYS . 1.3 m -56.64 -14.0 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -108.71 27.94 8.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.24 167.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.548 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 26.23 0.37 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.528 ' C ' ' CG ' ' 1' ' 16' ' ' LYS . . . 47.64 69.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.528 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.4 42.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.54 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 11.6 t70 -163.29 14.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.58 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.6 mtt180 -90.45 171.86 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.6 t -102.24 19.3 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 31.49 86.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.24 -35.5 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.272 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.71 58.71 10.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.16 140.54 25.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 42.0 m-70 -126.75 12.33 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -37.96 124.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.545 ' C ' ' CD1' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER -164.51 156.33 13.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.54 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.396 1.735 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.03 -19.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -93.98 -45.71 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 85.9 m -55.43 -56.56 18.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 108.326 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.503 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m-80 -61.0 -9.02 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.382 1.051 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 8.5 t30 -95.03 -36.54 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.633 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.02 -23.1 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.45 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.13 20.76 3.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.7 m -120.57 156.85 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 1.209 ' SG ' ' SG ' ' 1' ' 11' ' ' CYS . 0.5 OUTLIER -100.82 125.39 47.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.257 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.29 119.0 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.907 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -79.32 -83.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 1.7 t 85.95 -23.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 5.4 mtp85 -64.53 -46.19 83.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.456 HD13 ' CB ' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -115.2 109.19 46.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.73 15.82 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.4 -3.7 61.26 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.58 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.08 -178.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.511 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.508 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.53 29.14 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.569 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 7.4 t -170.12 101.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.357 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -141.05 -171.5 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.57 68.82 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.932 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.851 ' HG2' ' SG ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.03 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.57 1.826 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.518 ' O ' ' CG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -91.62 39.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.591 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 10.9 mm-40 -54.98 -21.06 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.472 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.5 OUTLIER -43.39 -23.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.75 -67.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.471 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 19.6 mt-10 -118.27 16.1 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 9.1 t -98.88 -90.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -37.61 -33.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.7 t80 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -89.79 73.64 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.465 ' HA ' ' CD1' ' 2' ' 6' ' ' LEU . 7.8 m-85 -87.64 82.71 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.428 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 47.7 t -122.89 -59.91 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.433 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -70.99 6.72 6.32 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER -145.58 16.74 1.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 0.738 . . . . 0.0 109.195 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.426 ' O ' ' HB3' ' 2' ' 52' ' ' LEU . 0.7 OUTLIER -84.16 168.93 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.956 179.983 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.492 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -68.64 -6.85 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.49 -8.89 34.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -67.15 -33.73 76.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 179.882 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.638 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 35.4 t -74.3 -0.61 17.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.351 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.74 12.25 18.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.551 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -45.53 166.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.551 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -74.99 27.82 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' 2' ' 13' ' ' VAL . . . 44.37 59.74 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.62 33.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.406 ' HB3' HG23 ' 2' ' 13' ' ' VAL . 36.5 t0 -160.38 17.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.507 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 21.2 mtt180 -85.9 178.43 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 87.3 t -108.88 19.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 31.64 90.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -55.94 -31.69 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.333 179.948 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.65 56.01 17.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.418 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -85.55 143.15 38.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.507 0.769 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 -14.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 27.27 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.493 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.6 OUTLIER -43.08 114.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.411 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -167.44 154.2 7.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.411 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.02 50.06 2.43 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -170.5 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -98.64 -44.78 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.493 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 16.4 m -62.52 -55.79 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.89 -4.79 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.9 t30 -102.88 -29.95 11.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.479 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.61 -30.64 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.29 23.62 1.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.7 m -118.17 174.79 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.4 t -123.41 124.13 42.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 82.3 t80 -90.88 122.49 33.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -90.26 -83.72 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.584 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 88.06 -15.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -42.73 95.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.413 1.07 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.1 111.34 33.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.416 1.745 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.14 -5.6 62.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.542 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.65 -178.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.542 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 116.33 4.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.07 28.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 107.992 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 49.9 t -171.56 107.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 108.285 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.649 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -140.73 -167.92 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' 1' ' 56' ' ' GLU . 0.0 OUTLIER -123.13 68.09 35.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.04 -91.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -104.25 27.36 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.564 ' NE2' ' N ' ' 2' ' 54' ' ' GLU . 0.0 OUTLIER -50.92 -14.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.564 ' N ' ' NE2' ' 2' ' 53' ' ' GLN . 1.2 pp20? -50.39 -18.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.47 1.106 . . . . 0.0 110.205 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.609 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -34.23 -66.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 14.07 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.23 -79.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.7 OUTLIER -48.09 -25.47 1.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.909 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.05 -25.47 21.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' 1' ' 7' ' ' SER . 3.8 p90 -93.0 68.44 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 55.1 t -130.43 -50.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' 2' ' 58' ' ' THR . . . -68.41 2.31 7.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.501 1.125 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.513 ' C ' ' CD2' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -147.14 19.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 0.753 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.513 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 0.2 OUTLIER -105.87 139.67 40.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.402 1.064 . . . . 0.0 109.961 -179.988 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.478 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -67.13 59.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -152.8 -26.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.468 HE21 ' C ' ' 1' ' 51' ' ' PRO . 14.8 tt0 -59.01 -32.46 69.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 1.243 ' SG ' ' SG ' ' 1' ' 37' ' ' CYS . 4.0 m -62.1 -8.7 5.82 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 108.255 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -119.29 21.45 12.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.542 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.43 166.9 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.542 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 27.29 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.55 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 46.12 68.8 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 167.95 40.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 -179.962 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.457 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 8.7 t70 -162.08 13.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.5 mtt180 -90.25 172.57 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.2 t -105.15 19.2 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.48 86.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.57 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.72 -35.46 31.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 61.52 6.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.0 143.57 28.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 179.919 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -5.99 17.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -124.93 13.67 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.497 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.3 p -37.84 124.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.445 ' C ' ' CD1' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER -165.03 154.64 11.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.988 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.93 51.39 2.75 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.551 1.816 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 178.41 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 -179.945 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.478 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -94.91 -45.21 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 79.4 m -55.79 -56.1 24.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.505 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m-80 -61.48 -9.01 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.6 t-20 -98.84 -31.53 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.603 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.98 -22.97 31.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.98 16.75 4.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.529 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 15.1 m -120.61 157.49 29.43 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 1.243 ' SG ' ' SG ' ' 1' ' 11' ' ' CYS . 0.1 OUTLIER -103.12 126.94 50.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 179.913 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 43.4 t80 -90.87 118.18 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.0 t70 -82.48 -82.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 88.75 -16.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -58.91 -59.71 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.55 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -108.05 125.41 32.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -14.27 21.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.507 1.793 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.75 65.31 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.564 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -106.43 169.1 7.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.555 ' O ' ' CE1' ' 1' ' 49' ' ' PHE . 18.6 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.01 29.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.916 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 7.9 t -169.65 99.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.327 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -142.41 -171.07 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.5 70.08 12.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.811 ' HG2' ' SG ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -97.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.557 ' CD2' ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -93.87 32.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.582 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.1 mm100 -52.31 -22.53 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -38.92 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -34.13 -67.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.453 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.5 mt-10 -137.12 25.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 t -105.63 -49.82 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.423 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.4 t -78.74 -39.81 35.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 41.0 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.54 72.2 10.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -86.9 77.6 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 28.6 m -116.83 -52.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.44 ' O ' ' CD ' ' 2' ' 10' ' ' GLN . . . -71.27 1.29 27.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -130.87 9.21 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.459 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.5 OUTLIER -107.32 -165.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.5 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -58.19 85.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' 2' ' 7' ' ' SER . 2.5 t-20 165.73 -30.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.44 ' CD ' ' O ' ' 2' ' 5' ' ' GLY . 12.4 tt0 -66.27 -30.55 71.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.696 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 43.7 t -65.43 -6.88 11.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 108.296 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -108.54 13.84 25.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -40.63 161.98 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.406 ' N ' HG12 ' 2' ' 13' ' ' VAL . 17.9 Cg_endo -75.01 29.49 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.932 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.566 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 50.66 71.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 163.93 50.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 39.1 t0 -165.45 -26.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.664 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.4 mtt180 -48.57 179.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 22.9 t -113.77 20.02 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.44 89.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -53.74 -33.69 56.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.77 55.12 30.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.15 136.24 29.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -4.6 15.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -124.41 21.36 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.532 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.3 p -43.45 123.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.417 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.6 OUTLIER -165.63 152.52 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.489 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 48.27 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.417 ' N ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -177.21 -23.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -92.6 -44.85 8.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.0 m -61.43 -58.75 6.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -60.47 -8.45 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.7 t30 -101.31 -28.08 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.494 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.36 -25.99 21.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.88 22.12 2.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.6 m -120.77 164.87 15.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 6.3 t -112.08 128.04 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.236 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 58.5 t80 -95.29 120.76 36.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 20.6 t70 -88.06 -82.62 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 88.27 -15.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -60.52 -53.11 61.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.566 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -116.02 125.22 28.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -14.76 21.01 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.554 1.818 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.99 -9.27 68.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.564 HG11 ' N ' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.51 170.16 5.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.564 ' N ' HG11 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.07 115.21 4.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -88.28 28.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 108.029 179.987 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.537 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.4 t -169.64 100.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.685 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -138.0 -169.27 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.32 68.29 48.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.696 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.93 -98.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.5 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -95.5 35.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -47.14 -22.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -36.67 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.48 -65.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -134.99 11.9 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -87.06 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 1.4 t -66.3 -51.61 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.509 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.05 -137.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.461 ' HA ' ' CD2' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -91.6 63.18 4.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 12.3 p -120.87 -52.66 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.413 ' O ' ' CD ' ' 1' ' 10' ' ' GLN . . . -70.71 3.53 12.1 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -131.98 3.3 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 81.9 p -86.0 165.72 16.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.515 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -72.02 -5.39 34.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.23 -13.9 27.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.675 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.4 OUTLIER -65.92 -40.83 91.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.91 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.677 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 15.2 t -65.14 -5.34 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 108.287 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.53 15.33 23.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.503 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.19 166.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.503 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 27.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.777 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.538 ' HB3' ' CG2' ' 1' ' 45' ' ' VAL . . . 53.12 72.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 166.03 41.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.42 ' HB3' HG23 ' 1' ' 13' ' ' VAL . 19.0 t0 -160.18 10.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 7.0 mtt180 -90.82 173.91 7.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 7.0 t -106.17 19.28 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.76 87.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -51.16 -35.71 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.23 63.2 4.48 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -91.84 141.15 25.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.43 0.724 . . . . 0.0 110.992 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -7.26 18.95 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -123.58 17.35 9.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 109.575 -179.987 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.547 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.03 128.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -165.74 152.47 8.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.471 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 51.18 2.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.73 -20.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -96.2 -42.77 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.547 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 50.6 m -58.57 -51.24 70.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.449 HD22 ' H ' ' 1' ' 38' ' ' PHE . 21.4 m120 -67.55 -4.25 11.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -105.12 -27.51 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.634 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.7 -23.95 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.196 -179.942 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.84 23.76 3.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.3 m -120.53 -178.77 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.37 125.87 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 58.9 t80 -90.55 121.9 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 23.3 t70 -90.57 -81.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.79 -15.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -59.66 -54.36 47.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.487 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -115.07 124.75 29.81 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.66 21.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.88 -9.82 65.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.565 1.165 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.56 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -107.34 169.72 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.556 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 113.12 3.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -86.82 29.65 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.8 t -170.54 98.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.27 -170.61 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.573 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.63 69.39 16.35 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.919 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.677 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 -100.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.515 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -90.38 34.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.573 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -54.57 -18.89 4.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.79 -25.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.916 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.01 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.39 1.057 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.496 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.6 mt-10 -128.82 27.91 5.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.3 t -108.12 -56.83 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -72.4 -29.39 63.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.4 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . 0.5 ' O ' ' CE2' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.59 64.48 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.5 ' CE2' ' O ' ' 2' ' 1' ' ' GLU . 3.4 p90 -92.22 79.43 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 t -138.22 -50.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.7 -5.24 23.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.117 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.506 ' HA ' ' CD ' ' 2' ' 10' ' ' GLN . 0.0 OUTLIER -140.38 12.28 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.825 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 1.0 OUTLIER -110.01 117.01 32.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.639 ' O ' ' N ' ' 2' ' 10' ' ' GLN . . . 29.18 -79.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.431 1.082 . . . . 0.0 109.357 -179.938 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.825 ' N ' ' O ' ' 2' ' 7' ' ' SER . 1.0 OUTLIER -36.59 -24.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.641 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -52.64 -49.94 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.71 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 17.2 t -61.13 -8.87 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 108.351 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.508 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -102.69 24.3 10.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -41.75 168.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.502 ' O ' ' CB ' ' 2' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 2.68 6.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' 2' ' 14' ' ' PRO . . . 84.37 48.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.493 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 176.41 44.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.08 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.535 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 38.6 t70 -154.94 12.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.2 mtt180 -92.81 178.73 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 96.8 t -108.4 19.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 33.03 84.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.529 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -47.42 -37.61 11.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.19 59.46 7.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -92.3 146.0 31.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -8.57 20.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -119.45 10.19 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.582 180.0 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.489 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -37.87 121.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.516 HG22 ' N ' ' 2' ' 28' ' ' PRO . 0.3 OUTLIER -166.85 157.97 10.71 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.89 48.46 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER 179.87 -16.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.437 ' HB2' HG21 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -99.41 -44.6 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.489 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.7 m -55.76 -55.64 29.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.366 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.06 -9.89 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -92.16 -35.6 13.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.583 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.66 -26.2 32.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.49 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.75 25.25 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.573 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 65.7 m -117.18 168.26 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.0 t -111.99 131.3 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.256 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.3 t80 -94.56 118.9 32.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.38 -83.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.09 -21.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.428 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 23.0 mtm180 -65.66 -43.53 89.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.232 -179.924 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.493 HD11 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -120.0 109.71 37.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.51 61.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.576 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.53 -177.54 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.484 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.49 29.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 179.933 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.518 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 9.6 t -169.39 112.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.609 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -149.74 -169.91 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.02 70.75 61.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.71 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.03 -98.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.408 1.741 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.519 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -92.67 31.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.6 mm100 -44.42 -23.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.8 pt-20 -37.96 -27.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.98 -59.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.64 17.53 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -93.27 -69.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 108.315 -179.956 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.414 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 5.8 t -61.65 -41.28 97.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.987 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.589 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 13.8 tt0 -91.06 85.14 5.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -46.0 85.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.589 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 20.1 t -123.54 -49.63 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' 1' ' 10' ' ' GLN . . . -71.84 0.53 36.28 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.535 1.147 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.445 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -128.83 7.08 5.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 0.723 . . . . 0.0 109.258 -179.951 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.79 -153.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.544 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -66.5 86.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 164.82 -29.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.479 ' CG ' ' O ' ' 1' ' 5' ' ' GLY . 12.7 tt0 -67.36 -28.5 68.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.657 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 43.3 t -72.76 -1.22 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 108.284 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.22 10.58 14.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.556 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.8 167.95 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.556 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.12 27.41 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.509 ' HB1' ' CD1' ' 1' ' 42' ' ' ILE . . . 49.08 64.94 1.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.93 36.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 -179.93 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.434 ' HB3' HG22 ' 1' ' 13' ' ' VAL . 32.8 t0 -158.99 15.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.396 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 9.5 mtt180 -90.38 175.74 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.52 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 46.1 t -104.49 19.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.54 85.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.573 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.65 -35.71 14.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.893 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.49 61.69 5.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.99 141.07 26.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -125.57 18.35 8.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.56 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -41.11 127.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.44 152.2 11.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.98 2.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.987 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.28 -22.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -94.89 -44.4 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 37.6 m -55.43 -52.2 64.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -67.56 -3.36 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t-20 -105.53 -26.4 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.414 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.32 -25.55 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.91 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.8 23.49 2.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.971 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -121.04 -177.33 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.573 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -127.79 126.73 42.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 108.33 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 40.6 t80 -89.08 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.573 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.31 -82.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 86.23 -23.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.004 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.446 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 5.4 mtp-105 -64.4 -43.3 94.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.509 ' CD1' ' HB1' ' 1' ' 15' ' ' ALA . 1.1 mt -120.92 106.49 39.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.8 -6.2 63.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.576 ' HB ' ' CD ' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.2 -176.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.368 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.576 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.91 118.92 5.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.96 29.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 107.982 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.4 t -168.49 103.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.9 -170.25 3.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.633 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.82 69.51 17.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.657 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.601 ' CD2' ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.48 28.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.633 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.6 mm-40 -54.16 -22.89 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.471 ' CA ' HG23 ' 1' ' 58' ' ' THR . 0.6 OUTLIER -39.29 -28.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.05 -67.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -130.42 25.12 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 5.2 t -104.32 -55.61 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.471 HG23 ' CA ' ' 1' ' 54' ' ' GLU . 11.6 t -78.55 -38.2 40.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 79.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . 0.565 ' O ' ' CD2' ' 2' ' 3' ' ' TYR . 8.3 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -85.78 61.44 6.85 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' 2' ' 1' ' ' GLU . 8.2 p90 -91.77 69.63 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' 2' ' 5' ' ' GLY . 31.8 m -125.41 -54.29 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.425 ' O ' ' OE1' ' 2' ' 10' ' ' GLN . . . -70.37 1.59 19.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.481 ' HA ' ' CD ' ' 2' ' 10' ' ' GLN . 0.2 OUTLIER -137.11 15.49 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.406 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.2 OUTLIER -107.75 -167.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.983 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.55 ' HA ' ' HG ' ' 2' ' 52' ' ' LEU . . . -59.96 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 4.0 t-20 159.39 -24.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.481 ' CD ' ' HA ' ' 2' ' 6' ' ' LEU . 18.3 tt0 -57.4 -37.52 72.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.678 ' HB2' HD11 ' 2' ' 52' ' ' LEU . 10.0 t -59.12 -12.16 4.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' 2' ' 10' ' ' GLN . . . -97.32 21.17 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -43.26 166.3 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.974 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 3.4 5.66 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.433 1.754 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.522 ' C ' ' CG ' ' 2' ' 16' ' ' LYS . . . 85.14 57.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.522 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 170.42 44.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 55.3 t0 -154.1 10.23 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.627 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.5 mtt180 -93.25 176.07 6.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 11.6 t -108.72 18.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 34.97 87.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.88 -31.99 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 38.5 58.54 1.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.157 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.572 ' CD2' ' HD2' ' 2' ' 34' ' ' ARG . 1.0 OUTLIER -90.37 153.65 46.36 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.473 0.749 . . . . 0.0 110.873 -179.874 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -9.71 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -117.63 6.87 12.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -38.28 113.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.413 HG21 ' N ' ' 2' ' 29' ' ' LYS . 0.4 OUTLIER -163.67 163.79 15.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.441 ' HB3' ' CE2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 47.53 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' N ' HG21 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -179.82 -21.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -179.932 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -94.42 -43.24 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 85.2 m -54.18 -56.28 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -12.07 23.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -83.49 -38.82 21.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.572 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.35 -27.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.88 26.31 2.57 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 35.7 m -110.31 176.37 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.5 t -120.8 126.5 50.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 89.8 t80 -94.19 116.27 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.1 t70 -84.96 -82.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.572 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 89.94 -18.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -60.09 -40.69 90.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.485 HD13 ' CB ' ' 2' ' 15' ' ' ALA . 1.3 mt -120.28 119.58 30.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.43 19.71 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.93 -7.62 65.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.575 ' CG1' ' NH1' ' 2' ' 18' ' ' ARG . 0.4 OUTLIER -108.45 170.2 5.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.584 0.814 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.564 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 111.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -85.87 32.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 10.9 t -171.15 108.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.629 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -150.53 -171.13 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.583 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.21 73.33 27.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.629 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -109.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' 2' ' 11' ' ' CYS . 0.0 OUTLIER -91.16 32.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.393 179.908 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.595 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 27.6 mm-40 -42.29 -24.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.4 OUTLIER -33.76 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.64 -62.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -140.28 16.27 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.488 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.62 -62.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.99 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.436 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 0.8 OUTLIER -67.79 -47.7 68.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.951 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.436 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 1.7 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.89 -87.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -79.2 78.5 5.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -122.88 -57.12 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.447 ' O ' ' OE1' ' 1' ' 10' ' ' GLN . . . -66.02 -1.32 9.2 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.586 ' CD1' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -142.23 32.14 1.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -94.96 -173.13 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.939 -179.922 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.534 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -61.68 -16.35 48.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -18.63 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.5 ' NE2' ' O ' ' 1' ' 51' ' ' PRO . 1.2 tt0 -65.56 -36.72 84.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.664 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 50.7 t -69.99 -3.92 18.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -104.35 8.66 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.497 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.1 160.84 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.17 36.28 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.497 ' CB ' HG23 ' 1' ' 45' ' ' VAL . . . 44.61 77.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.26 45.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -158.63 -26.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.1 mtt180 -53.18 177.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.3 t -111.6 19.31 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.34 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.1 t -49.04 -34.22 13.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.89 59.81 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' OH ' ' CE2' ' 2' ' 23' ' ' TYR . 0.6 OUTLIER -92.76 142.89 26.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -7.89 19.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -121.77 19.88 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.535 179.98 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.545 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -46.92 128.05 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.47 HG22 ' N ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER -165.57 151.94 8.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.614 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 53.28 3.28 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.41 1.742 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.37 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.529 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.7 OUTLIER -99.71 -45.73 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.906 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 14.9 m -54.92 -52.24 63.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -67.33 -4.09 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -103.82 -28.7 11.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.594 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.6 -30.34 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.15 25.58 1.18 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 -179.907 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.523 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 59.5 m -120.53 -177.69 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 7.2 t -126.86 126.92 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.614 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -81.09 129.52 34.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.584 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 9.5 t70 -71.13 -99.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.4 t 92.09 -9.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.938 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -91.34 -54.78 3.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.934 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.558 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.9 OUTLIER -117.83 122.21 30.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.16 21.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.31 -7.34 69.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.588 ' CG2' ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.38 170.96 5.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' O ' ' CE1' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.01 117.28 4.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.09 30.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.665 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 8.9 t -168.26 97.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.662 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -140.79 -174.09 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.551 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.56 71.01 47.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.664 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.01 -91.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -87.4 15.85 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.948 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.57 ' HG2' ' HD2' ' 1' ' 51' ' ' PRO . 27.9 mm100 -49.3 -23.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.87 -25.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -56.7 -85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.51 3.17 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 19.9 t -99.28 -73.37 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -45.73 -39.65 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.425 179.978 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.458 ' N ' HG22 ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.34 -117.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.407 ' O ' ' HB3' ' 2' ' 7' ' ' SER . 5.5 p90 -91.27 80.68 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.425 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 5.8 m -135.63 -57.01 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.492 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -68.58 4.34 5.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -151.64 27.0 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 0.726 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' 2' ' 3' ' ' TYR . 15.2 p -105.86 155.93 18.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.504 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -58.21 89.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.912 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.2 OUTLIER 167.66 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 8.4 tt0 -62.01 -31.17 71.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.696 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 35.2 t -70.56 -3.92 20.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 108.263 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -115.28 12.92 16.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.509 ' C ' ' H ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -42.62 165.81 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.494 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 28.11 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.582 1.832 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.515 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 51.6 73.15 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.489 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.2 OUTLIER 164.97 40.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.423 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 35.0 t0 -160.82 12.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.589 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.2 mtt180 -91.55 173.72 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -104.49 19.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.503 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER 32.8 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 4.2 t -47.46 -35.41 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.57 57.69 3.21 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.634 ' CE2' ' OH ' ' 1' ' 23' ' ' TYR . 3.1 m-30 -91.63 146.71 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -122.88 11.26 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.671 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.553 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.7 p -41.32 124.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.43 HG22 ' N ' ' 2' ' 29' ' ' LYS . 0.4 OUTLIER -164.85 154.21 11.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 47.34 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.81 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.457 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 24.1 tttt -178.95 -20.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' 2' ' 34' ' ' ARG . 1.2 mt-10 -94.82 -44.64 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.218 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.553 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.1 m -55.2 -56.19 22.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -61.05 -13.14 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -94.34 -28.04 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -86.32 -27.2 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.96 24.15 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.6 m -118.44 177.5 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.553 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.2 t -123.99 127.85 48.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.4 t80 -92.87 123.65 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.8 t70 -91.02 -82.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 88.62 -15.88 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -60.0 -51.27 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 179.957 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.515 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -117.36 125.14 28.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.913 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -15.53 20.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.25 -10.29 68.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.563 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.91 169.64 6.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.563 ' HD2' ' CG2' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.31 29.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.038 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 34.7 t -171.52 101.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.71 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.86 -168.13 2.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.458 ' CB ' ' HG2' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.92 66.92 30.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.71 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.95 -88.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.571 ' C ' ' CD2' ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -103.88 27.42 7.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -48.4 -17.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.406 1.066 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' HB2' ' CG2' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.55 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.11 -64.83 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.78 15.71 6.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 33.2 t -92.56 -79.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.488 ' CG2' ' HB2' ' 2' ' 54' ' ' GLU . 9.8 t -42.83 -38.84 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' OE1' ' 1' ' 10' ' ' GLN . 1.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.943 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.44 16.47 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -90.19 72.0 7.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 9.3 p -117.63 -55.93 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.11 2.07 21.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.455 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -134.62 9.78 3.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.743 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -166.6 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -71.29 -14.2 62.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.01 -8.28 43.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.398 179.967 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.503 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 2.6 pt20 -61.18 -42.72 99.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.668 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 15.9 t -59.07 -11.82 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.485 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -93.92 21.18 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -42.23 168.21 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.923 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.478 ' O ' ' CB ' ' 1' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 3.94 5.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.527 ' CB ' HD13 ' 1' ' 42' ' ' ILE . . . 83.08 45.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.486 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 179.67 44.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.537 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 21.2 t0 -153.28 11.25 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.09 . . . . 0.0 109.26 -179.92 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.7 mtt180 -92.98 179.88 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.388 179.929 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.78 20.15 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.1 OUTLIER 34.46 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.597 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -56.8 -33.72 66.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.98 54.79 21.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.632 ' CE2' ' SG ' ' 1' ' 36' ' ' CYS . 0.1 OUTLIER -90.31 140.39 27.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -12.87 21.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.8 10.01 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.566 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -41.24 128.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . 0.597 ' C ' ' CD1' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER -169.21 153.69 5.56 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.157 . . . . 0.0 110.421 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.94 59.59 5.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 166.2 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.617 ' O ' ' HB3' ' 1' ' 33' ' ' ASN . 0.5 OUTLIER -93.92 -45.7 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 22.8 m -53.6 -50.71 65.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.4 m-80 -75.47 8.29 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 44.0 t30 -106.72 -40.54 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.93 -37.58 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 139.98 23.41 0.3 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.632 ' SG ' ' CE2' ' 1' ' 23' ' ' TYR . 65.9 m -118.91 165.27 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.582 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 19.9 t -111.77 126.15 54.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.373 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' 1' ' 27' ' ' THR . 36.3 t80 -92.69 119.51 32.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' 1' ' 41' ' ' ARG . 49.4 t0 -79.86 -82.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 84.05 -31.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -63.3 -40.26 96.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.527 HD13 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -120.31 104.08 43.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.909 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.82 17.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.49 -5.38 67.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.583 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.64 -176.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.557 ' CD ' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.414 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.44 28.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.019 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.4 t -167.72 103.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.674 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.99 -168.79 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.972 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -126.07 68.91 65.5 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 109.23 -179.963 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.668 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.95 -99.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -91.76 37.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.7 mm100 -56.49 -23.51 39.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.01 -23.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.46 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -43.69 -65.07 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.81 17.94 11.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 36.6 t -98.16 -86.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.469 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 7.9 t -42.61 -26.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.7 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.4 54.39 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -90.06 71.35 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -52.12 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.506 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -72.38 4.08 21.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -130.79 3.95 4.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.414 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 77.4 p -109.08 176.77 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.495 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -61.91 84.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.2 OUTLIER 175.27 -32.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -61.18 -30.38 70.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.689 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 34.7 t -68.45 -5.17 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 179.998 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.29 14.75 27.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -47.67 166.04 0.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.548 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.94 27.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.505 ' CB ' HG23 ' 2' ' 45' ' ' VAL . . . 46.05 61.44 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.96 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 2.9 ptmt -177.58 34.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -163.14 21.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 17.7 mtt180 -90.16 174.64 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.6 t -101.06 20.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.46 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 8.8 t -49.37 -35.7 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.1 45.57 95.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.49 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -82.52 135.34 46.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.05 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.61 24.06 9.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.525 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 0.6 OUTLIER -43.65 119.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.42 149.6 9.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 50.2 2.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -176.69 -25.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -92.69 -44.34 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.3 m -62.57 -57.58 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.471 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -61.62 -6.84 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 23.5 t30 -105.39 -25.68 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.514 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.97 -28.09 19.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.529 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.26 20.51 1.99 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.52 ' CB ' ' SG ' ' 2' ' 48' ' ' CYS . 96.9 m -120.46 168.03 11.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.8 t -116.88 128.17 54.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.082 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 55.6 t80 -91.06 123.5 34.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.555 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 1.2 t70 -86.7 -85.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.1 t 90.4 -20.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.433 ' N ' ' OD2' ' 2' ' 39' ' ' ASP . 4.5 mtp180 -61.88 -48.07 82.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.485 ' CG2' HG12 ' 2' ' 45' ' ' VAL . 0.9 OUTLIER -116.14 112.48 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.913 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -7.03 18.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.03 0.18 60.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.533 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.95 -178.1 0.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.533 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.435 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.6 28.37 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.977 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 30.7 t -170.31 103.97 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.667 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.29 -168.7 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.72 68.93 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.924 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.689 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.1 Cg_endo -75.02 -97.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.455 1.766 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -95.34 38.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.565 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -52.52 -18.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 3.5 pt-20 -41.94 -25.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.01 -85.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -111.74 17.39 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -95.59 -68.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 108.364 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.461 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 14.9 t -43.58 -25.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' 2' ' 57' ' ' CYS . 12.2 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.651 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 1.8 tt0 -73.74 77.61 1.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.502 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 30.8 m-85 -29.38 85.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.651 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 27.8 m -132.91 -44.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . 0.468 ' O ' ' CD ' ' 1' ' 10' ' ' GLN . . . -72.36 5.2 16.0 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.582 1.176 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.536 ' C ' ' OE1' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -113.58 -13.0 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 0.814 . . . . 0.0 109.34 -179.979 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 3.4 m -110.04 -176.33 2.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.646 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -44.95 148.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . 0.646 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER 96.03 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.668 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 1.1 pt20 -57.17 -41.87 80.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.638 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 40.0 t -57.85 -10.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.494 ' O ' ' C ' ' 1' ' 13' ' ' VAL . . . -85.57 10.55 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.562 HG13 ' CG ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -33.54 148.81 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.561 ' HD2' HG21 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -75.04 33.96 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.591 ' CB ' ' CD1' ' 1' ' 42' ' ' ILE . . . 54.44 63.2 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 -179.976 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 163.48 42.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.922 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -155.84 9.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.616 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 8.3 mtt180 -93.19 175.87 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.1 t -106.87 16.52 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 38.6 86.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.628 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 1.9 t -46.76 -38.74 10.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.5 56.79 6.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.166 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.628 ' CE1' ' SG ' ' 1' ' 21' ' ' CYS . 1.7 m-85 -91.63 148.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.14 13.43 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 179.968 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.571 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -44.6 125.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -166.7 155.18 9.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.364 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.598 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -74.94 52.08 2.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.62 -20.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -96.66 -44.49 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.8 m -56.21 -53.17 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -67.03 -2.45 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 35.7 t-20 -105.27 -28.92 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -85.19 -26.89 26.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.75 26.46 1.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 72.0 m -119.85 176.66 5.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -121.54 123.4 41.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.598 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 37.8 t80 -93.96 119.08 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 33.3 t70 -85.68 -79.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.6 -14.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -66.17 -42.21 89.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.591 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 1.2 mt -122.38 109.25 33.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.14 -7.52 62.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.586 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -121.33 -175.94 0.38 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 117.21 4.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -92.98 28.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 107.988 179.978 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.574 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 49.9 t -170.48 108.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.616 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -145.51 -168.61 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 -179.978 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.574 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -124.11 70.27 51.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.668 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.3 Cg_endo -75.01 -100.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -90.72 33.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.574 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 27.8 mm100 -52.36 -19.41 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 179.953 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 7.3 pt-20 -40.92 -26.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.45 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . 0.468 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER -127.73 24.2 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.933 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.415 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.2 t -105.11 -53.03 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.459 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 2.5 t -80.65 -37.71 30.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.6 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -85.46 73.3 10.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.443 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 8.6 m-85 -76.34 82.74 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 49.1 t -124.36 -56.06 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.487 ' C ' ' CD1' ' 2' ' 6' ' ' LEU . . . -72.31 7.4 8.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -144.79 15.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 0.811 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.576 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 63.8 p -117.66 -156.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.945 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.647 ' O ' ' CB ' ' 2' ' 9' ' ' ASN . . . -51.11 143.12 11.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.914 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.647 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER 94.62 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.576 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -60.52 -32.2 71.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.246 -179.992 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 1.248 ' SG ' ' SG ' ' 2' ' 37' ' ' CYS . 1.8 m -65.82 -10.76 40.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -113.8 25.39 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.546 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.9 168.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.546 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.11 26.15 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.543 ' CB ' ' CD1' ' 2' ' 42' ' ' ILE . . . 46.23 67.41 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 165.48 41.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.487 ' HB3' HG22 ' 2' ' 13' ' ' VAL . 18.1 t70 -163.97 15.29 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.642 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 21.4 mtt180 -87.96 175.52 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 110.335 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 44.9 t -105.92 19.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.63 85.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.08 -36.13 28.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.353 179.969 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.69 58.45 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.669 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.99 141.93 26.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.737 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.77 10.5 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.562 -179.957 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.488 ' CG2' ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.76 122.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.511 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.4 OUTLIER -167.86 159.17 9.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.511 ' N ' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.95 47.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER 179.56 -15.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -99.17 -46.89 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.466 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 86.9 m -54.26 -56.79 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.31 -11.84 11.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . 0.4 ' O ' ' OH ' ' 1' ' 23' ' ' TYR . 7.2 t30 -89.74 -35.85 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.669 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.59 -25.44 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.967 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.544 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.59 25.82 2.77 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.141 . . . . 0.0 111.067 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 59.8 m -120.46 161.79 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 1.248 ' SG ' ' SG ' ' 2' ' 11' ' ' CYS . 0.1 OUTLIER -108.01 125.81 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.334 179.968 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 36.4 t80 -87.68 120.76 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.567 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.07 -83.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.67 -22.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.419 ' HB2' ' OD1' ' 2' ' 39' ' ' ASP . 14.2 mtm105 -64.81 -44.03 91.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.543 ' CD1' ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -118.45 109.67 40.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -6.86 18.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.45 -4.55 65.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.556 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 1.0 OUTLIER -120.46 -177.14 0.45 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 120.22 5.97 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.586 1.835 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.09 26.69 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 -179.993 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.519 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 9.0 t -168.98 105.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.654 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.04 -170.97 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.051 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.69 39.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.796 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.98 -91.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.599 ' O ' ' CD1' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -100.84 38.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.578 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 pp20? -39.19 -26.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.18 -61.92 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . 0.425 ' OE2' ' NZ ' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -136.76 14.69 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.381 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . 0.529 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -90.58 -80.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 -179.975 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' 1' ' 54' ' ' GLU . 6.0 t -46.9 -32.32 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.442 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.056 179.948 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' 1' 1 ' 2' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.4 tt0 -89.58 61.23 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 3' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' 1' ' 3' ' ' TYR . 22.1 p90 -67.67 66.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 4' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 53.8 t -117.83 -61.51 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.29 4.81 7.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 1' 1 ' 6' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -143.37 15.07 1.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 0.763 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 1.4 p -74.99 -171.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.927 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 1' 1 ' 8' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' 1' ' 52' ' ' LEU . . . -71.38 -6.58 41.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -100.78 -5.07 26.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 1' 1 ' 10' ' ' GLN . . . . . 0.613 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 5.6 pt20 -64.99 -37.88 89.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 11' ' ' CYS . . . . . 0.686 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 19.7 t -64.29 -8.2 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.322 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 12' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -108.67 17.01 22.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 13' ' ' VAL . . . . . 0.544 ' CG2' ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.48 167.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 14' ' ' PRO . . . . . 0.544 ' HD2' ' CG2' ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.89 27.96 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 15' ' ' ALA . . . . . 0.555 ' HB1' ' CG2' ' 1' ' 45' ' ' VAL . . . 53.14 72.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.387 -179.899 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 16' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 164.98 41.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 17' ' ' ASP . . . . . 0.442 ' HB3' HG23 ' 1' ' 13' ' ' VAL . 8.3 t70 -158.28 9.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.4 mtt180 -91.18 177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 19' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.73 20.04 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.73 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 21' ' ' CYS . . . . . 0.571 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.3 t -52.15 -34.35 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.383 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 64.58 2.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 1' 1 ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.25 140.59 24.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.995 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -2.05 12.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -130.47 19.4 5.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.666 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 1' 1 ' 26' ' ' VAL . . . . . 0.542 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.29 128.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.366 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.34 152.2 12.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.432 -179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 28' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 51.81 2.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 29' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.71 -21.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 30' ' ' GLU . . . . . 0.493 ' O ' ' CG ' ' 1' ' 34' ' ' ARG . 0.9 OUTLIER -95.46 -43.46 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 40.6 m -56.36 -50.7 70.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -69.05 -3.43 13.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 28.1 t30 -104.42 -27.35 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 34' ' ' ARG . . . . . 0.641 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.49 -26.17 28.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.99 23.55 2.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 36.8 m -120.93 -177.54 3.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 6.6 t -126.91 126.4 43.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 38' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 55.7 t80 -89.56 123.1 33.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.6 t70 -91.3 -82.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 40' ' ' SER . . . . . 0.543 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 1.0 OUTLIER 88.9 -15.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -58.53 -60.53 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 1' 1 ' 42' ' ' ILE . . . . . 0.477 ' CD1' ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -110.45 126.54 28.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.921 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 43' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -13.09 21.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.9 -8.85 64.64 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 1' 1 ' 45' ' ' VAL . . . . . 0.566 ' CG1' ' NH1' ' 1' ' 18' ' ' ARG . 0.4 OUTLIER -107.01 169.5 6.7 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 46' ' ' PRO . . . . . 0.561 ' HD2' ' CG2' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 113.02 3.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 47' ' ' TRP . . . . . 0.407 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.41 28.65 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 108.027 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 48' ' ' CYS . . . . . 0.571 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 11.6 t -169.79 98.92 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.84 -169.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 50' ' ' LYS . . . . . 0.574 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.55 68.5 21.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 51' ' ' PRO . . . . . 0.686 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.94 -99.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 52' ' ' LEU . . . . . 0.594 ' CD2' ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -88.11 32.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 53' ' ' GLN . . . . . 0.574 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.2 mm100 -55.86 -21.19 18.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 54' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -44.8 -23.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.0 110.376 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 55' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.83 -64.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.52 22.43 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -102.24 -55.06 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.36 179.912 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 1' 1 ' 58' ' ' THR . . . . . 0.577 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 4.0 t -64.51 -41.45 96.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 1' 1 ' 59' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.8 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 2' 2 ' 1' ' ' GLU . . . . . 0.415 ' HB2' ' CE2' ' 2' ' 3' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -90.19 73.28 7.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 2' 2 ' 3' ' ' TYR . . . . . 0.443 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -91.65 72.03 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 4' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -131.29 -57.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 5' ' ' GLY . . . . . 0.523 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -68.42 6.62 3.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 6' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' 2' ' 4' ' ' VAL . 0.0 OUTLIER -155.65 29.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 0.724 . . . . 0.0 109.303 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 7' ' ' SER . . . . . 0.405 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.1 OUTLIER -107.87 160.47 15.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.011 179.955 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 8' ' ' ALA . . . . . 0.477 ' HA ' ' CD1' ' 2' ' 52' ' ' LEU . . . -59.15 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 9' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER 161.6 -23.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.355 1.034 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 10' ' ' GLN . . . . . 0.702 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -59.68 -34.76 73.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 110.345 179.963 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 11' ' ' CYS . . . . . 0.665 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 46.0 t -75.88 -0.26 20.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 12' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -111.19 6.7 20.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 13' ' ' VAL . . . . . 0.523 ' CG2' ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.89 162.94 0.1 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.977 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 14' ' ' PRO . . . . . 0.523 ' HD2' ' CG2' ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -74.96 27.41 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 0.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 15' ' ' ALA . . . . . 0.53 ' C ' ' CG ' ' 2' ' 16' ' ' LYS . . . 49.1 69.93 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 16' ' ' LYS . . . . . 0.53 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 167.84 49.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.971 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 17' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.8 t0 -164.52 -28.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 18' ' ' ARG . . . . . 0.657 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 14.3 mtt180 -47.06 175.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 19' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.0 t -108.16 19.43 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.0 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.3 t -41.49 -40.18 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.26 47.72 85.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.563 1.164 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -91.96 132.68 32.08 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.553 0.796 . . . . 0.0 110.98 179.993 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -4.1 14.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.39 13.07 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.615 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 26' ' ' VAL . . . . . 0.566 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -40.53 128.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.188 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 27' ' ' THR . . . . . 0.53 HG23 ' N ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER -166.34 154.31 9.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.01 47.09 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.0 tttt -179.26 -15.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 30' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -100.64 -44.5 5.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 110.28 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.9 m -56.92 -56.09 26.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.145 . . . . 0.0 108.24 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 32' ' ' ASN . . . . . 0.452 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -61.44 -13.43 20.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 2' 2 ' 34' ' ' ARG . . . . . 0.577 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -88.13 -24.94 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.43 21.9 3.89 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 36' ' ' CYS . . . . . 0.488 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 5.6 m -121.49 174.81 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 37' ' ' CYS . . . . . 0.542 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.49 133.09 56.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.0 t80 -88.85 124.56 34.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 39' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -68.44 -98.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 40' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.7 t 93.31 -11.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 41' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 3.5 mtp-105 -91.12 -59.07 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 42' ' ' ILE . . . . . 0.517 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER -109.25 118.32 51.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -11.63 21.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.77 -8.65 65.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 2' 2 ' 45' ' ' VAL . . . . . 0.59 ' CG2' ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -105.88 170.84 5.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 46' ' ' PRO . . . . . 0.605 ' O ' ' CE1' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.01 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 47' ' ' TRP . . . . . 0.514 ' HA ' ' CB ' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -86.32 30.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 108.036 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 1.8 t -169.35 95.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 49' ' ' PHE . . . . . 0.657 ' CD2' ' HG2' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -139.11 -175.36 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 50' ' ' LYS . . . . . 0.513 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -116.95 70.64 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 51' ' ' PRO . . . . . 0.702 ' HA ' ' NE2' ' 2' ' 10' ' ' GLN . 18.4 Cg_endo -74.97 -105.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 52' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -97.69 37.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 20.4 mm100 -43.11 -24.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 54' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' 2' ' 52' ' ' LEU . 4.8 pt-20 -40.15 -26.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 55' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.99 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -118.8 22.07 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.63 -72.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.308 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' 2' 2 ' 58' ' ' THR . . . . . 0.412 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 12.6 t -47.28 -29.29 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.935 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 50.9 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' NH1' HG13 ' 1' ' 45' ' ' VAL . 5.8 mtt180 -92.13 -178.44 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.6 t -116.28 19.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.32 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.61 -34.54 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.252 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.63 56.31 25.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.0 OUTLIER -91.75 141.16 25.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.941 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -128.72 44.41 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -62.76 122.12 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.68 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.55 154.29 6.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.476 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.06 55.25 3.92 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER -178.36 -26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.68 ' H ' HG22 ' 1' ' 27' ' ' THR . 3.1 mt-10 -95.35 -47.63 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.7 -55.92 19.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -61.99 -6.79 3.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.3 t30 -106.0 -26.93 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.5 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.83 -30.48 22.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.54 22.73 1.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 75.4 m -121.7 175.63 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.6 t -122.3 126.44 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.5 t80 -90.76 122.91 33.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.1 t70 -91.12 -83.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 89.14 -16.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.75 -58.03 9.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 43' ' ' PRO . 0.2 OUTLIER -114.75 129.79 24.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.4 Cg_endo -75.04 -14.79 20.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.08 -8.11 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.58 169.11 7.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.01 114.01 3.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.469 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.54 28.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.638 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 38.0 t -170.81 103.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.339 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.659 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.14 -170.14 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.661 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.08 68.9 27.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.637 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.03 -97.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.746 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.876 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.37 31.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.661 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.1 mm-40 -54.06 -23.99 15.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' 1' ' 58' ' ' THR . 3.5 tt0 -39.2 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.34 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.25 25.34 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' HG2' ' 2' ' 50' ' ' LYS . 4.5 t -104.98 -64.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.465 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.7 t -55.92 -46.54 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.658 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.5 mtt180 -90.86 176.46 6.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.5 t -105.72 18.55 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.606 1.191 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 86.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.9 t -42.39 -40.11 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.59 50.54 66.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.672 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -92.82 135.17 26.46 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 25.19 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -52.48 129.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.623 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.18 155.47 6.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.96 47.91 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -177.95 -17.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.623 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -100.26 -46.88 5.13 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.556 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.3 m -57.85 -56.24 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 108.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.3 m120 -59.65 -13.86 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -97.83 -25.2 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -86.63 -24.44 25.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.502 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.83 22.77 3.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.128 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 5.3 m -121.03 177.15 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.2 t -123.1 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 108.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 55.5 t80 -92.8 119.4 32.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.48 -83.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.83 -24.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -64.81 -43.39 93.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.77 106.04 40.0 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -2.67 12.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.808 . . . . 0.0 111.068 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.71 -6.08 64.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.61 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.54 -176.12 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 118.65 5.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.16 28.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 107.994 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.637 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 33.8 t -168.89 101.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.671 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -170.91 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.504 ' CE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -116.78 67.87 4.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.645 ' HD3' ' C ' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -105.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.837 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -94.3 40.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.524 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 30.8 mm100 -46.91 -22.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.809 ' HG2' HG21 ' 2' ' 58' ' ' THR . 1.2 mt-10 -37.77 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.4 -70.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.5 mp0 -135.61 19.6 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.88 -63.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.809 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 15.2 t -57.04 -33.07 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.6 mtt180 -87.73 173.13 9.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 8.8 t -101.7 19.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.84 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.2 OUTLIER -49.92 -35.89 25.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.243 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.85 60.51 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.73 146.24 33.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.28 19.86 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -127.72 29.32 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.7 p -53.61 127.4 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.609 HG21 ' OE1' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.66 155.21 6.87 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.582 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 55.04 3.84 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.97 -21.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.609 ' OE1' HG21 ' 1' ' 27' ' ' THR . 1.7 mp0 -99.04 -47.6 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 11.1 m -56.11 -52.4 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 108.274 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -66.39 -3.78 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 42.5 t-20 -105.55 -27.91 11.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.573 ' CD ' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.35 -22.69 30.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.16 25.51 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 26.6 m -120.62 -178.01 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -129.41 122.87 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 69.9 t80 -87.8 122.02 30.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 20.2 t70 -91.11 -83.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.61 -17.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.971 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -60.68 -43.97 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.07 112.95 33.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -6.99 18.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.585 1.834 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.67 -4.9 63.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.631 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.4 m -120.34 -178.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.631 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.9 116.69 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.25 27.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.676 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 42.6 t -171.0 110.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.3 OUTLIER -148.88 -170.35 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.32 71.74 12.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.41 32.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.595 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.0 mm-40 -53.63 -20.33 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.244 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.545 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.99 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 24.11 7.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 1.8 t -106.03 -51.1 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.545 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.4 t -85.23 -37.81 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.9 mtt180 -90.79 178.76 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -110.5 21.57 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.1 t0 32.52 87.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 7.5 t -49.32 -36.95 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.67 53.11 48.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.58 139.38 29.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -10.47 21.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -122.86 30.42 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.62 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.9 OUTLIER -50.25 120.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.61 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.71 153.96 6.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.457 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 51.31 2.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 7.6 tttt -174.83 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.61 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -98.36 -45.56 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.234 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.1 m -63.29 -55.69 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.34 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.75 -5.3 3.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.9 t30 -104.87 -29.12 10.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' 2' ' 31' ' ' CYS . 0.0 OUTLIER -86.77 -31.93 20.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 128.61 25.11 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.095 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 90.3 m -122.48 168.59 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.1 t -115.21 129.6 56.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.507 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 47.4 t80 -94.77 119.47 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.538 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.27 -83.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.538 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.2 t 86.1 -24.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -65.43 -43.22 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.412 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER -121.22 106.77 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.42 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.09 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.512 1.796 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.04 -6.69 66.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.595 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.32 -175.64 0.36 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 121.4 6.52 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.62 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.97 27.21 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 107.979 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 25.8 t -168.52 101.48 0.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.392 1.057 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.43 -168.77 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.44 68.44 39.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.97 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.87 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.06 35.53 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 36.7 mm-40 -53.84 -19.3 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.4 OUTLIER -44.85 -19.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.15 -63.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -144.69 16.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.37 -55.13 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 108.34 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 2.7 t -64.9 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.05 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.595 ' NH1' HG23 ' 1' ' 45' ' ' VAL . 3.2 mtt180 -91.06 179.9 5.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -111.69 19.13 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 34.96 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -51.92 -34.22 40.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.1 57.66 18.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -91.01 144.2 29.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -12.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.08 45.02 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.743 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -61.45 120.99 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.539 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -170.17 154.18 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.444 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 58.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.584 1.834 . . . . 0.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -178.99 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.528 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -97.61 -46.43 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.18 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.35 -54.67 29.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -64.06 -4.77 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 24.2 t30 -107.39 -27.42 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.49 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.55 -30.76 23.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.606 1.191 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.78 23.59 1.17 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -121.47 176.26 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.551 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -123.29 123.4 40.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 108.361 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 58.4 t80 -90.1 120.79 31.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.8 t70 -86.99 -82.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.567 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 86.33 -14.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -64.4 -45.38 87.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.533 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -121.9 116.88 29.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.04 19.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.64 -2.95 64.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.595 HG23 ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.65 178.41 1.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 115.44 4.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.466 1.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.454 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -88.5 27.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.089 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.743 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 48.6 t -170.98 107.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.397 1.061 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.39 -169.0 2.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.48 69.34 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -98.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.375 1.724 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.38 32.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.229 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.1 mm-40 -55.22 -22.67 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.2 OUTLIER -40.37 -26.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.71 -72.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 109.215 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.32 24.88 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.69 -58.07 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 108.319 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.5 t -66.81 -42.34 86.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.0 mtt180 -87.03 176.11 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -105.84 19.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 29.98 87.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -47.33 -33.98 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.337 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.44 49.37 77.2 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.543 1.152 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.428 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -86.87 133.93 38.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.734 . . . . 0.0 110.961 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.86 25.34 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.735 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.2 p -45.75 121.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -168.5 152.89 5.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.498 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -74.98 49.12 2.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -175.82 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -97.36 -45.53 6.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 17.7 m -62.33 -56.15 21.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.53 -6.95 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.9 t30 -100.63 -30.98 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -85.95 -29.82 23.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 126.12 24.27 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 63.4 m -121.48 166.68 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 1.8 t -114.96 130.4 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.72 ' CE2' HG22 ' 2' ' 26' ' ' VAL . 9.0 t80 -99.37 118.33 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.1 t70 -81.58 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER 87.15 -14.57 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -68.14 -43.23 78.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.542 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 0.3 OUTLIER -120.06 111.76 35.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.31 -2.56 60.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.563 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -119.75 179.93 0.8 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 115.09 4.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.735 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.63 28.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 108.02 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 23.2 t -169.53 102.08 0.33 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.544 1.152 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.63 -170.95 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.411 ' HG3' ' HG3' ' 2' ' 53' ' ' GLN . 2.9 mppt? -120.22 69.08 14.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.608 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -104.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.606 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -95.7 42.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' 2' ' 35' ' ' GLY . 21.4 mm100 -52.1 -18.96 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.53 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.96 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.95 -65.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.1 23.61 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -102.64 -54.91 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.283 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.53 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 7.2 t -66.0 -41.87 90.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 20.5 mtt180 -86.79 173.4 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.529 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.9 t -103.59 19.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.0 OUTLIER 30.81 90.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.28 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.33 -34.89 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.46 55.31 30.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.524 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -89.07 142.35 30.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.471 0.748 . . . . 0.0 110.952 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.81 37.63 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.573 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.1 p -56.08 118.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.459 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.21 153.25 7.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 59.03 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.7 OUTLIER 178.69 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -97.16 -46.26 6.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.0 m -63.82 -57.1 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -61.55 -7.1 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.1 t30 -106.09 -25.64 11.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.536 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.15 -26.04 22.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.231 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.81 21.92 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 81.8 m -120.03 173.91 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -121.27 122.65 40.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 108.355 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 74.0 t80 -90.46 121.64 32.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.187 . . . . 0.0 110.943 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 14.6 t70 -90.09 -84.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 89.16 -18.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.925 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -60.44 -44.96 95.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -120.76 113.58 33.1 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.21 18.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.53 -4.21 64.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.596 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.01 -179.27 0.68 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.596 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 117.66 4.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.581 1.832 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.517 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.24 27.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.704 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 44.3 t -170.98 107.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -142.27 -169.84 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.5 69.19 22.52 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.6 Cg_endo -74.92 -98.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.452 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -93.53 35.13 1.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.586 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 46.5 mm-40 -57.58 -18.89 22.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.436 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.51 -23.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -47.72 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.29 26.75 9.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 45.5 t -105.58 -74.43 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 1.5 t -68.6 -30.12 68.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' 1' ' 58' ' ' THR . 20.4 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 14.7 mtt180 -90.58 176.27 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.54 ' O ' HG12 ' 2' ' 19' ' ' VAL . 39.1 t -107.43 19.11 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 32.18 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -52.64 -33.59 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.33 56.35 23.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -89.81 141.87 28.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.96 -12.38 21.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -123.1 32.72 5.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.525 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -51.25 118.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.578 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -170.04 155.09 5.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttt -173.06 -24.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.578 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -98.99 -44.76 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.386 1.054 . . . . 0.0 110.253 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 13.3 m -65.02 -53.59 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -65.69 -4.99 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 21.9 t30 -105.59 -27.9 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.475 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.99 -31.19 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.495 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 127.54 24.49 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.9 m -121.59 168.61 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 5.6 t -115.02 125.67 53.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 70.4 t80 -92.58 121.22 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.5 t70 -88.6 -83.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.11 -14.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -64.56 -45.73 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.466 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -121.41 113.94 31.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.92 16.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.44 -4.57 62.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.555 HG23 ' NH1' ' 2' ' 18' ' ' ARG . 1.0 OUTLIER -120.75 -179.25 0.69 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.556 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.14 27.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 107.997 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.688 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 46.0 t -169.89 104.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.688 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.87 -167.91 2.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.539 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.19 62.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.67 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -95.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.068 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.563 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -99.66 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 21.5 mm100 -49.75 -19.08 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.669 ' HA ' HG22 ' 2' ' 58' ' ' THR . 23.0 mt-10 -41.98 -24.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.13 -69.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -138.54 22.49 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.09 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.669 HG22 ' HA ' ' 2' ' 54' ' ' GLU . 10.1 t -61.31 -38.32 86.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.5 mtt180 -89.52 170.67 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.583 ' O ' HG12 ' 1' ' 19' ' ' VAL . 51.3 t -101.18 19.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 31.03 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.48 -35.65 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.82 34.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.404 1.065 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -89.32 141.36 28.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -11.79 21.52 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -123.68 34.3 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -52.88 118.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.92 154.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 57.18 4.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.0 ttpt -179.42 -25.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -97.66 -45.39 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 6.6 m -64.44 -55.66 19.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.3 m120 -63.52 -5.55 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 21.5 t30 -106.01 -27.9 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.66 -30.19 23.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.45 24.04 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 85.0 m -121.59 175.15 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.533 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.9 t -121.18 123.53 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.9 t80 -91.0 121.77 33.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.8 t70 -90.03 -84.52 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.54 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -60.8 -45.22 95.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.7 111.85 34.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.63 -5.09 60.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.606 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.2 m -120.61 -177.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.606 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 117.07 4.78 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.6 27.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.686 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.8 t -170.79 106.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.36 -169.62 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.3 OUTLIER -121.87 69.5 26.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.605 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.03 -100.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 35.02 1.02 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.563 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 42.1 mm-40 -54.56 -18.45 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.427 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 1.9 pt-20 -42.82 -25.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.87 -70.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.1 mm-40 -129.08 25.72 5.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 3.6 t -105.28 -58.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.45 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.1 t -63.69 -42.91 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.4 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 44.4 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.1 mtt180 -91.97 178.38 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.0 t -108.14 18.97 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.63 84.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.568 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -47.47 -36.01 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.256 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.59 58.21 13.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.629 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.73 139.99 26.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.8 t-80 -126.21 13.58 7.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.621 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.79 126.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.624 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -167.81 153.14 6.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.97 47.61 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.43 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 3.1 tttp -178.54 -17.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.624 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -98.67 -45.08 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 58.9 m -55.34 -55.03 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.27 -12.78 14.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.402 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 19.7 t-20 -92.84 -31.46 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.629 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.6 -25.95 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.23 24.81 2.87 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.9 m -121.2 169.6 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.502 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.3 t -113.32 133.18 55.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 108.217 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 37.9 t80 -96.79 117.34 30.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.566 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -76.07 -83.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 86.62 -23.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -65.09 -44.41 88.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.66 106.78 39.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.443 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.5 Cg_endo -74.97 -2.03 11.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.23 -5.96 65.16 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.89 -176.53 0.42 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 118.63 5.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.498 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.59 30.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.667 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 8.7 t -166.75 106.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.412 1.07 . . . . 0.0 108.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -145.4 -169.53 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.33 69.9 52.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.612 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.97 -94.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.531 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -99.32 37.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.591 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.5 mm100 -51.75 -19.51 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.5 pt-20 -42.54 -23.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.08 -68.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.88 21.3 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.2 OUTLIER -99.31 -54.83 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.264 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.446 HG22 ' O ' ' 2' ' 54' ' ' GLU . 7.0 t -60.29 -37.27 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 1' ' 50' ' ' LYS . 17.3 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.63 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 5.5 mtt180 -92.04 170.86 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.3 t -104.16 19.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.71 88.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.52 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -50.56 -37.35 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.15 60.75 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.46 145.64 31.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 111.043 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -9.31 20.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -125.19 23.62 7.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.607 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -47.92 125.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.529 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.22 155.33 8.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.578 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 54.75 3.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.26 -20.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.529 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -100.14 -44.56 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.0 m -56.6 -51.77 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.42 -2.32 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 49.3 t-20 -105.14 -27.46 11.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.585 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.5 -23.88 27.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.45 26.69 2.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 39.5 m -119.88 -177.34 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.547 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.7 t -128.88 124.71 35.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 78.5 t80 -88.28 121.42 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.0 t70 -89.76 -84.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.57 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.0 -15.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.935 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -61.32 -46.47 90.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.526 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.8 OUTLIER -120.54 115.69 32.33 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.526 1.142 . . . . 0.0 109.338 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -6.68 18.32 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -4.72 61.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -118.63 -179.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.544 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.02 117.21 4.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.93 28.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.568 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.5 t -171.74 111.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.645 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -149.11 -170.56 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.08 14.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.645 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.92 -97.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.51 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.7 OUTLIER -92.18 31.55 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.9 mm100 -53.92 -20.92 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.91 -26.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.67 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 3.5 mt-10 -124.38 24.62 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.509 ' HA ' ' HZ3' ' 2' ' 50' ' ' LYS . 3.2 t -105.52 -54.33 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.458 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.8 t -82.31 -29.93 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 11.7 mtt180 -90.95 171.6 9.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.2 t -98.2 14.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 34.51 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -51.37 -36.84 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 108.302 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.25 59.63 8.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.647 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.18 139.9 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.61 0.829 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.7 OUTLIER -125.6 13.37 8.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.64 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.97 126.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.61 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.75 155.23 6.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.43 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.498 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.99 47.87 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER -179.09 -15.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.61 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mt-10 -100.98 -45.64 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.4 m -55.68 -55.25 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.9 -12.43 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -93.46 -30.18 15.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.647 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.89 -25.15 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.334 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.99 24.2 3.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.6 m -121.71 171.96 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.0 t -117.15 129.2 55.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 108.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 67.8 t80 -93.41 121.13 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 21.9 t70 -88.49 -83.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 89.06 -17.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -62.1 -43.07 99.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.09 109.31 33.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.434 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -4.96 16.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -6.68 64.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.568 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.0 -176.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.03 118.28 5.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 29.47 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.028 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.622 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 12.5 t -168.79 105.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.639 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.53 -167.77 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -120.74 69.77 17.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.639 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -97.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.885 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.2 34.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.9 mm100 -49.84 -20.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.4 pt-20 -37.5 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.3 -59.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.37 15.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.5 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.71 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.428 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 13.9 t -54.08 -45.74 71.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.507 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 37.0 t0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.632 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 14.4 mtt180 -49.89 -179.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' HG12 ' 1' ' 19' ' ' VAL . 21.7 t -114.97 19.75 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 33.38 87.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.1 -35.84 17.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.148 . . . . 0.0 108.315 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.45 60.69 7.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.642 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.38 140.42 24.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -6.75 18.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -122.04 13.17 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.581 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.579 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -36.83 128.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.694 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.05 153.27 7.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.405 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 51.94 2.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.23 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.694 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -96.41 -44.55 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.2 m -55.99 -50.93 69.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -69.56 -1.63 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.5 t-20 -105.3 -29.05 10.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.642 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.22 -24.73 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.43 25.37 2.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 33.8 m -119.93 179.79 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.3 t -125.29 124.0 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 61.4 t80 -89.39 122.03 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.3 t70 -90.34 -83.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -16.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -58.56 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.67 124.25 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.83 21.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.97 -10.07 65.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.168 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.916 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.11 170.26 5.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.422 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.48 29.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.563 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 13.9 t -170.23 103.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -142.87 -171.8 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.611 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 70.71 24.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -98.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.83 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.55 34.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.611 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 47.7 mm-40 -55.05 -23.32 19.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -40.6 -26.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.98 -71.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.44 27.41 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.9 t -106.18 -57.91 1.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -71.78 -49.25 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.564 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.7 mtt180 -89.97 -179.29 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.516 ' O ' HG12 ' 2' ' 19' ' ' VAL . 26.1 t -112.49 20.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.88 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.2 -34.45 57.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 108.294 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.95 56.45 23.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.412 ' CE1' ' NE ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.72 142.14 28.98 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.05 -11.36 21.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -123.42 30.29 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.564 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -49.31 116.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.59 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.91 154.79 8.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.527 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 50.27 2.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.3 OUTLIER -172.8 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.59 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -99.17 -45.19 5.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 110.208 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 15.1 m -62.81 -55.94 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.342 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.81 -6.66 6.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -101.87 -29.42 11.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.448 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -31.65 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.517 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 128.5 24.04 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 75.6 m -120.54 166.77 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.486 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 4.1 t -113.82 128.64 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.527 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 45.6 t80 -93.82 120.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.581 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -82.7 -83.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.581 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 85.5 -22.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -65.41 -42.61 92.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.88 106.87 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.24 -6.37 64.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.601 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.63 -175.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.601 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 118.91 5.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.539 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.13 27.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.013 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.69 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 28.9 t -168.23 104.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.28 -168.16 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.575 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.86 68.51 62.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.64 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.98 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.462 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -98.28 38.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.575 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.1 mm100 -47.22 -20.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.5 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -37.38 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.31 -70.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -131.69 17.95 4.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.07 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.55 -77.27 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.5 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.0 t -40.35 -41.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 10.4 t70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.0 mtt180 -47.48 176.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 5.0 t -110.63 20.95 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.57 91.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.23 -34.89 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 108.332 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.21 55.24 31.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.089 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.38 140.77 27.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.03 -6.48 18.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.19 43.35 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.624 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.7 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.4 p -61.15 120.45 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.487 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.04 153.04 7.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.59 4.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER 179.35 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -96.6 -46.11 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.203 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 2.3 m -63.59 -56.29 17.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -62.4 -7.11 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.7 t30 -105.24 -26.31 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.53 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -86.7 -25.69 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.515 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.14 22.51 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 78.7 m -119.44 177.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -124.63 124.68 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.257 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 57.3 t80 -90.37 119.91 31.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.13 -83.9 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 85.63 -22.96 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.95 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -65.87 -43.15 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -121.34 107.74 36.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -4.77 15.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.49 -6.92 67.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.623 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.84 -175.13 0.33 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.623 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 122.98 7.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.501 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -93.97 25.48 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.7 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.6 t -167.7 104.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.643 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -141.04 -170.07 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.648 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.66 69.59 45.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.623 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -97.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.99 32.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.648 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.3 mm100 -52.66 -19.89 2.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.4 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.31 23.97 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.33 -54.81 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.57 ' O ' ' NE2' ' 2' ' 53' ' ' GLN . 0.9 OUTLIER -90.11 -13.05 36.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.468 ' O ' ' NE2' ' 2' ' 53' ' ' GLN . 5.8 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.3 mtt180 -91.5 -178.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.9 t -111.34 19.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 32.62 87.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.62 -33.28 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 108.283 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.55 61.97 1.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.606 ' CE2' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.91 148.02 37.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.96 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -5.74 17.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.24 15.51 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -42.77 121.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.752 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -163.95 158.51 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.415 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.97 48.16 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.426 1.751 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -179.88 -22.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.752 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -93.49 -43.36 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.8 m -55.43 -57.54 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.09 -15.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.517 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 6.9 t30 -85.07 -36.37 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.606 ' CD ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -80.82 -24.56 38.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.6 19.16 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.2 m -107.31 178.39 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -124.63 125.25 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 56.6 t80 -88.83 122.62 32.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -87.14 -82.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 84.21 -23.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 110.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -62.78 -41.43 99.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.41 107.51 34.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.65 -7.68 64.59 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.61 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.1 -175.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.99 117.5 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 111.036 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.1 28.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.703 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 19.5 t -171.27 108.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.0 -169.16 2.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 1.042 ' HB2' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.55 67.96 29.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.98 -96.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.478 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -102.2 41.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 1.042 HE21 ' HB2' ' 2' ' 50' ' ' LYS . 0.6 OUTLIER -41.87 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -43.12 -23.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.07 -62.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -149.12 19.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -69.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.1 t -51.65 -43.32 62.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.591 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 13.8 mtt180 -90.15 168.51 11.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -96.3 17.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.84 88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -51.81 -36.51 48.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.88 60.77 4.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.47 145.56 31.58 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.06 21.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -118.28 10.8 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.586 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.3 p -36.05 126.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.683 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.27 154.75 9.85 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 53.43 3.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.1 -22.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.683 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -95.45 -43.48 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.2 m -56.03 -53.3 58.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.3 m120 -66.17 -5.64 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.1 t-20 -99.81 -30.85 11.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.615 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.88 -22.96 33.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.42 25.88 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 24.2 m -118.51 -179.38 3.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 2.6 t -126.72 121.76 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 108.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 69.2 t80 -87.96 121.15 30.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.8 t70 -89.82 -84.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.613 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 89.69 -16.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -62.35 -42.54 99.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.403 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.6 109.54 34.39 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.0 Cg_endo -75.02 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.38 -5.96 61.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.574 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.93 -176.55 0.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 116.31 4.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 29.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.8 t -171.25 110.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.591 ' CB ' ' HB3' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.25 -169.66 3.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.19 71.82 17.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.589 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.01 -102.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.47 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -91.69 34.86 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.552 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.3 mm-40 -52.19 -19.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.1 OUTLIER -40.71 -26.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.1 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.426 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 6.5 mt-10 -124.41 25.63 7.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.28 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.5 t -103.95 -64.18 1.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.452 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -61.17 -28.75 69.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 10.0 mtt180 -91.36 172.63 8.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -100.24 16.37 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 34.05 83.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.546 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.69 -34.52 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.76 61.53 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.088 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.616 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.58 144.25 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 0.814 . . . . 0.0 110.941 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.09 19.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.9 m80 -120.9 10.76 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.632 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.773 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -35.81 123.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.1 154.35 8.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.11 2.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.404 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 14.7 tttt -178.09 -18.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.589 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -100.06 -44.67 5.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.4 m -55.78 -55.27 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.01 -12.57 19.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.09 -28.14 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.616 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.78 -25.15 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 118.26 24.27 3.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 47.9 m -121.87 170.22 10.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.513 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -116.17 128.57 55.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 51.0 t80 -96.24 118.32 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.2 t70 -84.77 -80.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.85 -15.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -66.81 -40.66 88.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 mt -121.89 108.18 35.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -3.9 14.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.22 -7.19 62.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.599 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.08 -177.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.51 28.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 107.986 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.773 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.7 t -169.68 107.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.66 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -146.6 -168.32 2.99 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 70.57 21.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.66 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -95.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.831 . . . . 0.0 111.04 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.38 40.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.547 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.5 mm-40 -56.37 -13.27 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -51.6 -17.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -33.82 -67.81 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' 2' ' 59' ' ' PHE . 34.9 mt-10 -138.76 11.4 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -89.34 -61.17 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.409 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.472 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 4.9 t -61.34 -25.66 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 20.6 t70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.1 mtt180 -46.09 174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.663 ' O ' HG12 ' 1' ' 19' ' ' VAL . 98.0 t -110.28 19.04 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.13 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -55.77 -34.53 65.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.356 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.0 55.77 28.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.554 1.159 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.61 142.24 27.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 -9.95 21.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -127.92 40.52 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.1 p -58.07 118.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.514 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -169.35 154.61 5.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.444 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 57.92 4.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.1 ttpm? -179.2 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.514 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -98.18 -46.49 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -64.32 -55.14 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -63.87 -5.16 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.2 t30 -106.7 -27.49 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.358 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.532 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.86 -30.34 22.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 128.24 22.91 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 75.3 m -120.76 174.57 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.508 ' HB2' ' CD ' ' 1' ' 51' ' ' PRO . 3.1 t -120.9 125.58 47.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.41 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.8 t80 -91.12 120.72 32.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.8 t70 -87.21 -84.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.553 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.63 -16.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -62.06 -46.62 88.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.588 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.7 OUTLIER -120.74 116.86 31.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.22 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.56 20.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.97 -3.64 65.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.588 HG13 ' HB ' ' 1' ' 42' ' ' ILE . 1.0 OUTLIER -119.02 -179.74 0.73 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.548 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 119.63 5.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.769 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.474 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -92.3 25.22 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.724 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 44.7 t -169.22 110.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 108.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.636 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -145.86 -169.97 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.58 70.38 46.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.631 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.38 34.63 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.4 mm100 -50.36 -25.67 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.535 ' HA ' ' H ' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -35.33 -30.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.26 -64.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.57 8.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' 1' ' 53' ' ' GLN . 0.8 OUTLIER -92.79 -90.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 108.256 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.535 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 1.2 t -43.88 -27.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.471 ' C ' ' O ' ' 1' ' 58' ' ' THR . 32.0 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 17.4 mtt180 -89.71 175.51 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.57 ' O ' HG12 ' 2' ' 19' ' ' VAL . 47.0 t -105.29 19.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 32.61 90.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 5.1 t -51.14 -36.72 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.355 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.59 84.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.409 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -83.56 138.54 41.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -8.43 20.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.576 1.83 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.67 24.52 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.569 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.683 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.8 OUTLIER -43.71 116.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.604 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.33 153.46 10.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 51.66 2.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.8 tttt -175.44 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.604 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -98.27 -44.07 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.3 m -61.89 -56.5 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 108.343 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.74 -5.32 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.2 t30 -103.57 -27.44 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.509 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -88.23 -31.04 19.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.76 22.48 1.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.0 m -120.16 172.88 7.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.6 OUTLIER -120.49 126.38 50.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 108.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.642 ' HE2' HG22 ' 2' ' 26' ' ' VAL . 30.7 t80 -91.78 123.78 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.5 t70 -88.47 -83.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 87.88 -15.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -68.86 -41.87 77.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.502 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -120.73 111.81 34.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.28 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.57 -3.52 62.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.536 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER -119.67 -179.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 117.16 4.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.683 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.89 26.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.615 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 33.0 t -171.38 102.67 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 108.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -136.54 -169.42 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 67.18 31.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.699 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.93 -91.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.449 1.762 . . . . 0.0 111.05 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.919 HD13 ' C ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -105.36 26.14 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -48.97 -20.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER -38.63 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -36.98 -72.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 10.5 pt-20 -116.7 18.65 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -102.9 -54.94 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 108.278 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.479 ' HB ' ' HA ' ' 2' ' 54' ' ' GLU . 0.7 OUTLIER -76.47 -41.45 47.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.411 1.069 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.1 mtt180 -87.93 -176.47 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.0 t -113.24 22.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.543 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 29.2 87.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -49.61 -33.6 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 56.7 19.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -89.77 140.41 27.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 111.04 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.99 -6.04 17.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 37.46 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.625 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -57.46 121.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.722 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -164.64 153.01 10.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.435 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 55.01 3.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.4 tttt 178.82 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.722 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -93.88 -46.4 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.16 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -60.06 -7.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.5 t30 -106.12 -25.95 11.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.55 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -26.24 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 124.55 21.14 2.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 92.6 m -120.36 171.09 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.558 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.4 t -118.66 127.74 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 31.9 t80 -89.69 124.72 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 42.3 t0 -81.18 -86.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.8 t 87.84 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 11.0 mtp85 -65.26 -40.97 94.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.418 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -120.82 102.91 43.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.376 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.09 -3.8 14.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.24 -5.09 64.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.102 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.604 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.44 -175.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 119.98 5.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.492 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -92.57 29.9 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.625 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 34.6 t -168.5 102.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 108.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.685 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -135.72 -169.61 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.634 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.87 67.69 42.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.98 -98.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.816 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.867 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.04 33.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.4 mm-40 -58.1 -26.01 62.06 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -41.44 -25.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.16 -64.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -134.5 24.56 3.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -103.72 -55.17 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 108.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.583 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.3 t -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' 1' ' 58' ' ' THR . 18.8 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.1 mtt180 -89.76 177.27 6.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.4 t -108.84 20.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.9 89.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.4 OUTLIER -52.5 -32.87 42.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 54.88 31.01 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.62 139.88 29.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.779 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -9.41 20.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -123.13 28.03 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.683 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -47.45 119.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.593 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -169.57 154.65 5.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.473 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 51.38 2.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 5.6 tttt -174.36 -23.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.593 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -98.29 -45.76 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 26.6 m -62.79 -56.2 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 108.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -63.48 -5.84 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 18.4 t30 -103.99 -28.86 11.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.52 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -87.13 -29.99 21.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.5 1.48 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.0 m -121.18 168.8 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.1 t -114.72 129.03 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 108.371 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.473 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.5 t80 -93.83 119.22 32.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -81.16 -83.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.579 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.77 -23.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -42.14 93.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.447 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.2 mt -120.54 106.57 39.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 -5.89 63.01 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.6 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.29 -175.76 0.37 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.6 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.08 118.76 5.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.593 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.38 27.68 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.052 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.683 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 35.1 t -168.63 104.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -168.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.94 69.16 57.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.616 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.96 -94.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.455 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -98.79 40.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.2 mm100 -55.47 -17.13 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.732 ' HA ' HG22 ' 2' ' 58' ' ' THR . 23.6 mt-10 -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -38.31 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -133.68 26.97 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.02 -66.43 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.732 HG22 ' HA ' ' 2' ' 54' ' ' GLU . 10.2 t -60.29 -38.5 83.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 1.1 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 10.3 mtt180 -90.49 174.31 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -109.31 21.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.9 89.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -51.41 -33.4 30.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.306 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.99 57.78 15.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.448 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 143.56 29.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.83 20.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -130.36 44.68 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.706 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -61.71 120.91 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.538 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.96 153.84 5.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.04 58.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.8 OUTLIER 179.38 -26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.538 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -97.25 -46.31 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.4 m -64.04 -56.33 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -62.08 -7.47 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.8 t30 -105.99 -25.15 12.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -87.91 -25.65 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.504 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.34 21.74 2.45 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.617 1.198 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 77.8 m -120.52 175.24 6.09 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.563 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.54 124.95 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 108.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.9 t80 -91.04 122.46 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.5 t70 -90.31 -83.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.13 -16.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.17 -56.36 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.4 126.57 27.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.47 20.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.557 1.819 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.72 -9.14 66.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.568 1.168 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.901 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.8 169.51 6.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.901 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.489 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.03 28.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.002 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.706 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 37.9 t -170.99 103.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 108.252 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -139.42 -169.34 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.35 68.65 29.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.645 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.13 -97.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.407 1.74 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.802 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -92.85 32.04 1.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.2 mm-40 -56.19 -22.4 28.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.437 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.93 -25.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.17 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.2 OUTLIER -124.94 26.01 7.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.27 -57.81 2.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 108.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -67.34 -38.66 85.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -91.48 171.93 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 16.6 t -101.06 18.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.46 85.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.532 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -50.94 -36.95 41.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 60.74 6.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.44 141.11 25.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 111.022 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -125.71 13.75 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.653 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.01 125.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.585 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.88 155.21 7.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.02 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -178.35 -15.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.585 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.9 OUTLIER -101.27 -45.35 5.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.1 m -56.1 -54.77 41.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.06 -11.41 19.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.466 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 32.7 t-20 -95.59 -27.36 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.75 -26.05 23.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.494 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.12 25.43 2.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 53.8 m -122.41 175.69 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -120.62 128.29 52.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 108.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 70.8 t80 -92.78 120.74 33.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -89.46 -82.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 86.98 -15.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.032 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -43.1 94.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.51 111.16 33.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -6.64 18.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.74 -6.18 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.637 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.4 m -121.14 -178.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.225 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.637 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.5 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.442 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.61 27.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 20.2 t -169.39 105.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.661 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -144.11 -168.43 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -119.85 69.53 13.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.661 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.02 -96.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.858 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.51 38.14 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.587 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 30.1 mm100 -55.09 -17.68 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' HB2' HG21 ' 2' ' 58' ' ' THR . 11.4 pt-20 -47.35 -21.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.44 -64.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.36 22.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.4 OUTLIER -101.84 -53.02 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.514 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.0 t -62.84 -41.75 99.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.5 mtt180 -87.68 173.11 9.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 ' O ' HG12 ' 1' ' 19' ' ' VAL . 33.6 t -101.7 19.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 29.51 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -48.26 -34.77 10.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 108.361 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.86 61.21 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.39 142.92 27.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 111.075 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.82 18.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.86 18.21 8.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.576 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.17 126.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.636 HG23 ' HD2' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER -164.78 154.3 11.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' 1' ' 27' ' ' THR . 18.1 Cg_endo -75.03 52.45 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.51 -21.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.599 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -95.52 -44.07 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.1 m -56.19 -52.01 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -67.44 -3.44 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.8 t30 -101.3 -33.45 10.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.93 -23.69 41.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.69 25.54 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 27.4 m -117.85 -178.6 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.8 t -127.71 123.68 36.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.3 t80 -87.84 122.39 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 12.7 t70 -90.65 -85.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.598 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 1.1 t 90.58 -19.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 40.7 mtm180 -57.83 -45.93 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -120.62 113.6 33.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.602 1.189 . . . . 0.0 109.366 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.5 16.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.45 -3.91 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.26 -178.73 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.432 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.13 28.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.1 t -170.43 109.35 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -146.8 -170.86 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.57 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.84 72.16 21.74 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.07 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.404 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -94.26 35.5 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.57 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -55.32 -24.68 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.454 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.1 OUTLIER -40.7 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.22 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.45 24.11 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 13.8 t -101.38 -74.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 108.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.47 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 9.2 t -58.91 -25.32 63.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.46 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.6 t80 . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.1 mtt180 -90.72 172.32 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.588 ' O ' HG12 ' 2' ' 19' ' ' VAL . 58.8 t -99.99 18.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 30.51 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.1 -35.99 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 108.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 58.48 12.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.614 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -90.76 139.55 26.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.4 13.92 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -38.64 126.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.807 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.07 153.64 9.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.08 47.42 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -178.85 -20.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.807 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -94.41 -45.63 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.2 m -54.58 -57.54 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.5 m120 -58.48 -14.79 8.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -91.66 -31.14 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.614 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.64 -24.64 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 119.31 20.59 3.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.1 m -121.11 164.45 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.522 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -109.55 135.82 49.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CD2' ' C ' ' 2' ' 27' ' ' THR . 33.8 t80 -97.92 117.42 32.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.578 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.25 -83.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.578 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.06 -23.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -65.87 -43.81 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.42 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.2 mt -119.92 106.01 42.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.412 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 -3.32 13.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.7 -5.77 64.44 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.034 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.6 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.42 -176.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.6 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 120.15 5.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.5 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -94.4 30.03 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.594 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 5.8 t -165.92 104.59 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -145.0 -169.86 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' CD ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.77 70.3 27.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -100.19 42.53 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' OE1' ' CA ' ' 2' ' 36' ' ' CYS . 17.8 mm-40 -52.65 -15.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.647 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.97 -21.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -37.52 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.47 15.0 9.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -91.82 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 108.31 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.647 HG22 ' O ' ' 2' ' 54' ' ' GLU . 9.0 t -50.26 -36.86 33.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.3 mtt180 -92.69 176.13 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.3 t -108.7 20.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 33.83 91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.78 -34.36 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.54 57.07 21.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.48 144.02 30.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -12.49 21.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.431 1.753 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -127.81 44.46 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.591 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -61.31 119.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.527 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.52 154.56 7.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.07 57.39 4.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 ttpt -179.46 -25.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.527 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -97.47 -46.59 6.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.4 m -64.29 -55.53 20.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -63.25 -5.52 3.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 25.5 t30 -106.5 -27.61 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -85.54 -30.17 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.06 23.42 1.29 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 73.7 m -120.96 174.87 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.581 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.8 t -121.4 126.54 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 53.2 t80 -91.47 120.78 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.588 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.01 -82.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.48 -23.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.415 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 11.3 mtm105 -63.21 -44.24 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.491 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -120.26 111.21 35.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.97 -7.87 19.59 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.513 1.796 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.37 -2.87 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.574 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.71 -178.31 0.57 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.21 5.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.496 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.26 27.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 107.966 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.701 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.7 t -169.55 107.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -142.44 -169.5 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.638 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 68.54 35.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.632 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.863 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.49 31.59 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.638 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.7 mm-40 -54.16 -19.19 4.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 2.9 pt-20 -41.52 -25.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.01 -71.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.493 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 10.5 mt-10 -124.11 21.9 8.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.48 -58.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.3 t -71.61 -35.15 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.7 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.579 ' NH1' HG13 ' 2' ' 45' ' ' VAL . 5.6 mtt180 -91.74 175.22 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -107.05 18.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 33.9 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.27 -36.11 19.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.59 61.93 4.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.654 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -92.16 145.18 30.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 110.97 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.07 -8.62 20.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -120.55 10.25 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.709 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -36.96 125.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.606 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.68 155.03 8.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 48.62 2.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 0.9 OUTLIER -179.02 -17.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.606 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.6 mt-10 -99.38 -44.78 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 61.4 m -55.4 -54.89 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 108.226 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.82 -11.03 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.89 -30.3 14.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.648 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.95 -25.72 25.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.19 24.83 2.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.637 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.7 m -120.86 169.12 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.4 t -114.17 129.95 56.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 52.8 t80 -94.97 118.46 31.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.6 t70 -84.94 -81.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 89.03 -18.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 6.9 mtp-105 -55.63 -60.91 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' 2' ' 45' ' ' VAL . 0.1 OUTLIER -108.59 126.76 28.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.47 21.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.55 -8.41 64.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.911 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.41 169.09 7.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.911 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.42 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -87.18 29.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.709 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.0 t -169.99 103.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.666 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.2 -169.79 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 70.58 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.666 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.08 -93.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.623 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -101.57 37.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.559 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm100 -48.52 -21.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.46 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.362 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.53 -62.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 10.2 mt-10 -143.48 19.27 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.467 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.31 -56.41 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.343 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.436 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.3 t -64.94 -35.39 81.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.589 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.7 mtt180 -89.97 174.99 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.3 t -106.3 19.4 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 32.56 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.53 -35.21 19.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.46 60.94 4.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.628 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.29 143.16 27.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 111.074 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -126.18 16.82 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.601 HG23 ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.28 127.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.662 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.03 156.34 9.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.456 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.09 52.8 3.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 175.53 -20.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.662 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -96.3 -44.19 7.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' 1' ' 26' ' ' VAL . 56.1 m -55.48 -52.97 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.3 m120 -67.99 -2.32 7.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 14.8 t-20 -100.3 -34.76 9.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.628 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.89 -24.93 40.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.26 25.44 2.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 14.6 m -116.42 -177.31 3.15 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -128.49 122.41 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 108.226 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 75.0 t80 -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 25.3 t70 -89.8 -82.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.554 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.09 -17.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -61.9 -42.08 98.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.56 109.25 32.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.53 61.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.604 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.53 -176.38 0.41 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.365 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -74.84 116.39 4.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.451 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -91.09 28.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.045 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.6 t -169.68 108.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.75 -170.75 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.585 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.31 71.52 12.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.638 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.96 -98.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.94 36.07 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 55.0 mm-40 -57.79 -17.59 16.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.511 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.4 pt-20 -50.27 -19.41 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -35.96 -69.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.77 15.12 8.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' 1' ' 58' ' ' THR . 46.3 t -96.89 -89.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.3 t -32.03 -39.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' 1' ' 57' ' ' CYS . 5.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.9 mtt180 -90.26 174.85 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 15.8 t -104.69 21.39 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 29.71 85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.5 -33.43 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.53 59.51 5.3 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.56 1.162 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.87 142.25 27.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.982 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.43 16.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -121.43 9.82 10.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 109.632 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.661 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.0 124.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.772 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.5 158.21 11.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.533 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.94 47.62 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER 178.8 -19.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.772 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -93.47 -45.47 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 68.7 m -54.04 -57.15 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -60.97 -12.74 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -87.79 -36.06 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.659 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.74 -25.33 32.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.481 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.86 22.6 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.3 m -115.15 170.01 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.8 t -114.59 131.07 56.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 53.0 t80 -93.24 120.37 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.55 -83.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 85.14 -23.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -64.66 -42.34 95.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.67 106.89 39.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.11 -4.07 14.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.76 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -5.74 65.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.602 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.08 -175.96 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.602 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 111.05 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.534 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.54 26.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.08 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.661 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 11.4 t -167.48 106.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 108.261 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.34 -169.8 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 70.63 66.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.0 -92.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.46 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.64 39.22 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.594 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.9 mm100 -50.6 -18.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.1 OUTLIER -42.65 -25.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.093 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.19 -70.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.88 17.69 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 t -93.41 -70.97 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 7.7 t -47.93 -38.35 16.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 45.9 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.561 ' NH1' HG23 ' 1' ' 45' ' ' VAL . 5.5 mtt180 -91.33 177.03 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' 1' ' 20' ' ' ASP . 2.7 t -111.45 18.83 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 35.88 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.64 -35.1 60.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.23 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.31 56.69 23.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.428 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -91.36 142.74 27.32 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -13.29 21.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -123.5 36.41 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.527 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.685 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -54.14 117.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.492 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.8 153.53 5.91 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.567 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 60.01 5.33 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.1 tttt 179.48 -27.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.492 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -97.93 -45.5 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 110.22 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.7 m -64.31 -54.72 28.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -64.84 -5.02 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.8 t30 -107.55 -26.0 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -86.69 -33.19 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.217 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 131.85 22.31 0.94 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 70.8 m -120.94 176.44 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.538 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.8 t -123.98 122.73 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 67.7 t80 -89.06 122.67 32.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.4 t70 -88.97 -84.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.31 -15.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -63.6 -45.99 87.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.524 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.8 OUTLIER -120.82 115.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.38 19.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.52 -3.58 66.65 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.561 HG23 ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -119.75 179.16 0.93 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 116.65 4.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.535 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -89.1 28.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.685 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.3 t -172.06 108.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -143.21 -168.73 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 111.048 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.12 69.31 28.79 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.607 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.95 -99.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.481 1.78 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.1 35.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.532 1.145 . . . . 0.0 109.17 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.593 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.2 mm-40 -57.44 -21.71 38.61 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.9 pt-20 -45.38 -22.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.12 -64.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.23 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.47 17.74 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -98.33 -87.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 108.294 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.5 t -38.3 -35.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 46.5 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 40.2 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.673 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 16.0 mtt180 -44.19 170.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.0 t -107.03 22.1 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.32 88.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.596 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.4 t -49.03 -35.41 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 108.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.22 54.48 37.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.41 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -89.85 136.17 29.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -1.95 11.91 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 24.26 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.4 1.063 . . . . 0.0 109.587 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.625 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -46.74 124.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -170.81 156.31 4.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 49.0 2.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.2 OUTLIER -176.74 -18.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -99.23 -44.96 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.0 m -61.97 -57.72 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.0 -6.08 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 12.0 t30 -101.47 -29.5 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.503 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -87.25 -29.99 21.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.25 23.09 1.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.6 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.4 m -121.34 167.59 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.638 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -108.1 138.21 44.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.586 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.6 t80 -93.67 123.59 37.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 9.1 t70 -66.05 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 91.24 -9.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . 0.408 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER -91.16 -56.17 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.545 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER -115.21 119.93 37.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.18 20.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -8.58 62.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.801 HG22 ' CD ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -106.3 172.85 3.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.801 ' CD ' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 116.66 4.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.58 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.16 29.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.966 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.596 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 2.6 t -168.32 93.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.238 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -134.08 -171.07 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -128.2 69.23 77.71 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -91.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.484 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.95 40.73 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.58 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 19.6 mm100 -51.03 -15.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.476 ' HA ' HG22 ' 2' ' 58' ' ' THR . 0.5 OUTLIER -44.67 -22.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.25 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -35.21 -67.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.9 17.62 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.58 -73.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.49 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 9.0 t -48.67 -35.14 13.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.49 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 t0 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 16.6 mtt180 -90.53 176.35 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.8 t -107.16 20.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.516 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 31.79 87.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.506 ' SG ' ' CE ' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -49.47 -35.32 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.49 61.19 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.57 144.01 28.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 111.04 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -7.78 19.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.585 1.834 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 23.5 m-70 -122.72 14.38 10.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.697 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.566 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -38.83 126.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.709 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.32 154.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.475 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 51.51 2.79 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 177.93 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.709 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -95.45 -44.19 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.348 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 38.7 m -55.86 -52.98 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 108.375 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -66.3 -5.01 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.5 t-20 -100.14 -32.6 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.91 -22.96 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 0.0 110.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.45 26.22 2.95 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 23.7 m -118.73 -178.23 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -126.92 121.54 32.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.2 t80 -88.81 119.82 29.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.3 t70 -89.32 -81.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 85.23 -13.82 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -66.75 -40.91 88.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.05 109.37 31.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.449 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.61 62.68 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.608 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.71 -176.17 0.4 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.608 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.97 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.449 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -90.48 27.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.521 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 36.3 t -170.42 109.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.83 -171.25 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.659 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.13 14.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.615 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.02 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.69 32.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.659 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.4 mm100 -53.58 -21.11 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER -40.1 -26.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.59 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.72 21.95 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' CD ' ' 2' ' 53' ' ' GLN . 1.8 t -108.45 -52.2 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.501 ' HA ' ' NE2' ' 2' ' 53' ' ' GLN . 0.6 OUTLIER -57.71 -29.76 64.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.0 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.4 t0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -48.06 179.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.215 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' HG12 ' 2' ' 19' ' ' VAL . 23.4 t -113.94 19.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.2 OUTLIER 33.89 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -56.5 -32.91 65.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 108.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.47 56.95 19.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.414 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.59 137.28 28.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.11 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.96 21.83 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.445 1.09 . . . . 0.0 109.671 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.692 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.4 p -41.31 122.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.648 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -168.09 151.24 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 49.96 2.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.648 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -95.8 -43.88 7.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 36.0 m -61.42 -56.54 19.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.321 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.86 -6.41 5.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -101.84 -29.47 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -85.82 -30.58 22.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.98 22.85 1.51 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.7 m -119.82 174.65 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.554 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -122.3 126.05 47.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 108.268 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.65 ' CE2' HG22 ' 2' ' 26' ' ' VAL . 13.5 t80 -93.03 125.0 37.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.2 t70 -90.04 -80.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.92 -15.61 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.993 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.33 -59.08 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -109.69 125.77 30.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -14.2 21.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.73 -10.01 65.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.14 170.0 6.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.692 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -87.22 28.86 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 107.947 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.525 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.8 t -171.91 99.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.265 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -133.98 -166.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.57 65.91 53.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.736 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.91 -99.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.479 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -96.83 40.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.667 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -42.4 -22.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 10.2 mt-10 -37.21 -29.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.72 -60.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.66 22.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.67 -54.12 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.468 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 0.6 OUTLIER -70.78 -38.18 73.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.468 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.581 ' NH1' HG13 ' 1' ' 45' ' ' VAL . 6.1 mtt180 -92.13 -177.1 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 6.0 t -118.64 22.38 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.87 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.07 -34.52 56.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.252 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.93 54.36 38.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 138.43 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.63 17.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -128.73 34.82 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -55.05 122.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -166.57 152.08 7.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.01 55.08 3.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 6.8 ttpt 179.61 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 1' ' 27' ' ' THR . 2.0 mt-10 -94.78 -45.42 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.8 m -63.83 -57.51 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 108.379 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.4 m120 -60.55 -7.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -105.79 -26.74 11.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.512 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.89 -26.07 22.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.511 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 124.63 20.06 2.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 78.0 m -120.86 167.36 12.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -114.82 125.86 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 56.5 t80 -92.12 120.49 32.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.1 t70 -88.09 -81.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.534 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.42 -17.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -55.09 -60.36 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' 1' ' 43' ' ' PRO . 0.1 OUTLIER -111.18 129.18 24.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -75.11 -14.6 20.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.33 67.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.872 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.78 169.01 7.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 113.36 3.78 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.517 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -85.9 27.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.67 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 31.5 t -171.26 103.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.661 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -169.65 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 68.69 29.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.648 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -75.06 -100.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.423 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -93.46 34.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.567 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 34.9 mm-40 -53.24 -19.12 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.424 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -43.13 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.72 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.63 26.03 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 17.9 t -103.49 -67.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 108.219 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 0.8 OUTLIER -79.99 -25.74 40.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.1 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.573 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 3.4 mtt180 -90.75 -175.14 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.609 1.193 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.3 t -116.63 19.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 34.91 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -51.21 -33.66 28.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.72 53.96 40.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -88.94 141.19 29.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.045 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.0 -8.97 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.75 36.96 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.651 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -55.66 118.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.609 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.39 154.58 9.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 50.98 2.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -173.75 -24.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.609 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -97.37 -44.24 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 7.3 m -65.27 -53.21 47.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 108.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.27 -5.4 7.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -105.04 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.83 -32.18 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 128.69 24.66 1.08 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.405 1.065 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.3 m -121.85 166.64 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 2.2 t -114.12 128.49 56.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 108.368 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 44.2 t80 -94.95 116.49 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.57 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.15 -82.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.57 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.26 -23.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.29 -47.23 77.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.474 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 0.4 OUTLIER -115.69 110.82 44.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.55 18.19 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.472 1.775 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.03 -2.28 64.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.573 HG23 ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -119.71 -179.66 0.73 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 117.91 5.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.513 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.4 28.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.582 1.176 . . . . 0.0 108.021 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.651 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 27.1 t -169.87 106.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.86 -170.49 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.29 70.52 43.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -97.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.516 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -105.47 44.85 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 35.1 mm-40 -55.22 -14.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' 2' ' 58' ' ' THR . 65.2 mt-10 -47.61 -20.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.94 -67.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.39 15.01 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.214 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -59.32 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.575 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 7.3 t -61.29 -33.13 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.9 mtt180 -91.36 172.26 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.1 t -99.37 16.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 33.56 85.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CD1' ' 1' ' 23' ' ' TYR . 3.8 t -47.17 -38.78 12.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.62 58.4 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.629 ' O ' HG12 ' 1' ' 26' ' ' VAL . 1.5 m-85 -91.17 147.64 36.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.92 13.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.23 14.19 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.656 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.0 p -44.69 128.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.639 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.98 153.57 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' 1' ' 27' ' ' THR . 18.1 Cg_endo -75.08 52.29 3.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.23 -21.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.639 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -95.74 -44.16 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 28.3 m -55.45 -53.75 52.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -65.81 -3.78 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 24.4 t-20 -104.02 -29.0 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -84.33 -26.71 28.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.77 26.05 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -120.13 179.44 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.557 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.2 t -126.11 122.11 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 46.1 t80 -88.42 123.6 33.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.5 t70 -91.23 -81.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 86.34 -13.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -65.62 -43.02 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.454 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.1 mt -121.72 112.1 32.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -5.54 16.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.624 1.855 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -5.42 61.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.155 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.556 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -120.21 -177.88 0.52 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -74.98 116.0 4.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.419 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.48 28.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.656 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 45.0 t -171.98 107.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.337 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.34 -168.31 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.666 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.16 68.71 27.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.619 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -101.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.449 1.763 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.866 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -87.38 33.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.666 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 45.3 mm-40 -57.62 -19.27 24.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.3 OUTLIER -44.4 -24.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.83 -64.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.78 25.12 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 5.9 t -104.88 -58.06 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 108.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.8 t -69.15 -34.84 75.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.544 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -90.5 170.61 10.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.183 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.8 t -96.88 18.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 29.94 82.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -46.75 -38.02 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 58.52 13.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.97 140.31 26.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 2.1 t-160 -123.52 9.56 9.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.671 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.0 p -35.0 125.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.584 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.95 155.68 6.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.0 47.5 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.3 tttt -179.06 -14.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.584 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -101.38 -44.21 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.229 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 69.3 m -58.63 -54.24 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -63.47 -9.79 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -98.05 -28.21 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.99 -25.27 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.82 23.76 3.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 61.8 m -121.61 170.24 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.7 t -113.78 134.69 54.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 40.2 t80 -96.42 117.51 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.97 -82.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.359 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.87 -24.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.21 -43.53 94.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.424 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.7 OUTLIER -120.14 106.32 41.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.405 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.0 Cg_endo -75.06 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.63 -4.7 63.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.16 -175.88 0.39 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.98 120.49 6.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -95.51 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.704 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.8 t -165.8 106.6 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.638 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -146.49 -169.66 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.41 69.95 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.04 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.87 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -97.93 35.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 30.1 mm100 -46.86 -21.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -35.74 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.52 -60.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -141.5 14.31 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.97 -58.05 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.464 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 15.3 t -70.99 -44.31 66.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 20.3 t70 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 8.0 mtt180 -46.96 175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.0 t -107.12 18.34 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.4 t0 33.38 87.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.45 -36.46 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.67 61.23 6.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.18 142.12 25.86 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 0.77 . . . . 0.0 110.997 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -9.45 20.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.3 OUTLIER -121.46 15.87 11.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.547 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.2 p -39.16 127.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.559 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.58 152.75 6.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 54.52 3.69 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.559 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.0 OUTLIER -99.37 -44.49 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.3 m -56.23 -51.52 67.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m120 -68.62 -2.3 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.0 t-20 -105.47 -28.74 10.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.1 -24.3 30.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.88 25.67 2.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.0 m -119.78 -179.31 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.5 t -125.83 126.59 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 45.0 t80 -89.14 121.45 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -84.13 -82.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 84.88 -22.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -62.99 -45.23 93.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.516 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -118.88 110.75 38.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -6.58 18.28 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.91 -2.21 62.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.57 -177.91 0.53 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 0.81 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.553 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.09 118.52 5.27 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.502 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.77 27.79 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.654 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 16.4 t -168.96 106.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 108.232 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.71 -170.65 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.664 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.36 69.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.644 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -96.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.901 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.62 32.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.664 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 54.4 mm-40 -58.93 -27.18 65.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 8.0 pm0 -42.27 -25.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.84 -62.9 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.13 24.9 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER -103.16 -54.74 2.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.572 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.1 t -89.11 -36.33 15.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 10.7 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.57 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 5.5 mtt180 -92.03 178.97 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.22 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -110.61 21.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 32.09 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.19 -37.67 16.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.74 57.72 15.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -91.18 140.4 25.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 111.054 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -4.39 15.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 14.17 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.89 126.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.624 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -168.05 155.27 7.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.06 47.64 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -179.83 -17.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.624 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -97.93 -45.15 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.5 m -54.54 -55.25 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.44 -13.5 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.74 -34.76 17.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.21 -26.88 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.247 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.73 25.34 2.61 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.624 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.4 m -117.98 171.63 7.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 2.0 t -115.35 131.52 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 51.3 t80 -94.24 117.38 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -78.88 -83.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.78 -22.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -65.21 -46.6 80.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.509 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.7 OUTLIER -116.58 110.7 42.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.268 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -6.72 18.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.4 -2.31 65.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.415 1.072 . . . . 0.0 110.999 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.57 HG23 ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.37 -179.49 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.04 117.06 4.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.456 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -88.24 27.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.025 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.657 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 8.5 t -168.92 106.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 108.375 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.74 -170.83 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.36 70.74 63.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.614 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -92.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.529 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -102.76 39.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 20.4 mm100 -51.29 -19.89 1.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.448 ' O ' HG22 ' 2' ' 58' ' ' THR . 18.7 mt-10 -40.82 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.22 -72.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 22.29 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 3.1 t -98.69 -72.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.448 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.3 t -54.69 -39.51 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.961 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 15.5 t70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 6.5 mtt180 -49.06 -179.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.57 ' O ' HG12 ' 1' ' 19' ' ' VAL . 47.0 t -113.05 19.37 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 33.42 90.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.51 -33.14 43.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.8 55.96 27.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.501 1.126 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -90.84 140.94 26.38 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.059 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 -6.65 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -132.87 47.12 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.677 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -64.24 122.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.544 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.96 153.73 6.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.449 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 56.53 4.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.9 tttp -179.91 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.544 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.0 OUTLIER -98.24 -45.8 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.1 m -64.3 -54.86 26.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -64.46 -5.17 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.1 t30 -106.71 -26.75 11.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -84.96 -32.26 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.518 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 130.49 23.05 1.02 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.4 m -120.52 179.81 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' HB2' ' CD ' ' 1' ' 51' ' ' PRO . 3.7 t -125.23 129.0 49.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 45.0 t80 -90.25 122.87 33.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.4 t0 -76.56 -89.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.0 t 90.49 -24.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.956 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -43.86 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.433 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER -120.08 104.57 43.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -3.45 13.93 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.97 64.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.63 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.2 m -121.74 -173.85 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.97 123.86 8.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -97.01 28.09 3.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.677 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 33.6 t -166.06 104.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -172.22 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.673 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.01 69.98 39.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.926 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.587 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -96.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.416 1.745 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.95 30.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.673 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.19 -21.75 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.706 ' HG2' HG22 ' 1' ' 58' ' ' THR . 0.2 OUTLIER -39.11 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.53 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.453 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.7 tt0 -127.52 24.49 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.0 t -106.42 -51.58 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.342 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.706 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -90.85 -29.84 17.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.8 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 8.8 mtt180 -90.05 176.42 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.5 t -107.9 22.17 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 30.43 87.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.2 t -49.0 -33.02 10.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.98 60.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.56 134.95 33.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.8 15.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.428 1.751 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -123.92 25.81 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.66 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.9 OUTLIER -47.5 121.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.613 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -166.55 151.84 7.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.0 Cg_endo -75.1 49.28 2.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.585 1.834 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -176.06 -22.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.194 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.613 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -95.75 -45.71 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 10.9 m -61.82 -58.57 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -59.86 -9.71 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 19.0 t30 -100.91 -27.8 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.504 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.38 -25.21 21.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.496 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 121.73 22.55 2.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.5 m -121.7 163.72 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.588 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -111.22 132.34 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.486 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 39.1 t80 -96.74 118.32 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.552 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -77.2 -83.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.552 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 86.88 -23.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -66.34 -43.1 87.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.412 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.2 mt -121.03 106.29 39.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.406 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -5.53 65.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.588 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.45 -175.81 0.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.588 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.36 6.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.66 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.77 28.38 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.9 t -167.06 103.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.61 -168.57 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.627 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.22 68.22 36.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.634 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -92.37 33.15 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm-40 -51.84 -22.8 4.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -41.58 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.75 -59.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.448 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 45.6 mt-10 -145.79 21.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -98.61 -54.7 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 8.6 t -71.03 -43.07 68.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.7 mtt180 -88.57 174.29 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.2 t -104.59 21.19 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 29.91 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.43 -33.27 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.367 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.22 60.57 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.552 1.158 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -90.75 146.48 34.14 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 111.03 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.52 21.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -127.08 35.4 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.521 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -57.83 128.34 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.554 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -169.9 155.19 5.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 55.78 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.0 OUTLIER 176.84 -21.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.554 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -98.84 -46.38 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 20.8 m -56.0 -50.78 69.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -68.76 -1.93 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -102.59 -33.39 9.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.597 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.45 -25.19 39.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.97 24.98 2.38 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 30.7 m -116.9 -179.81 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.9 t -126.44 125.63 42.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 57.2 t80 -87.23 121.41 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -84.15 -84.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.51 -22.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -64.11 -42.24 96.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.5 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.3 mt -121.22 107.36 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -4.52 15.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.99 -6.01 63.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.609 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -120.96 -175.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.609 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.56 30.81 1.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.485 1.115 . . . . 0.0 108.021 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.612 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 22.0 t -171.53 112.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -149.91 -170.98 3.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 111.073 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.618 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.95 72.36 33.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.576 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.09 -97.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.92 32.77 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.618 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.5 mm-40 -53.79 -23.93 13.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.51 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -39.1 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -52.06 -87.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -84.62 11.74 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 14.2 t -105.5 -68.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.51 HG22 ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -47.21 -30.23 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.633 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -92.01 179.41 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.528 ' O ' HG12 ' 2' ' 19' ' ' VAL . 31.4 t -108.52 20.05 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.17 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.638 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 5.1 t -52.58 -35.06 53.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 108.313 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.25 57.94 2.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' SG ' ' 2' ' 21' ' ' CYS . 2.9 m-30 -91.56 148.29 37.06 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.562 0.801 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' HB2' ' NH1' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -123.62 13.38 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.629 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.859 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -43.8 122.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.506 1.129 . . . . 0.0 109.412 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.618 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -165.94 154.15 9.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.396 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.549 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 48.93 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -179.21 -18.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.236 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.618 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.8 OUTLIER -99.35 -44.99 6.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.3 m -55.04 -56.76 16.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -60.2 -14.0 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.62 -30.88 16.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -84.91 -26.6 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.19 21.42 3.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.142 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 95.5 m -114.06 174.89 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.494 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -121.36 125.71 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.4 t80 -91.06 121.55 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.086 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -84.96 -82.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.918 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.59 -24.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -63.38 -41.97 98.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.81 107.8 35.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.51 65.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.621 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.21 -175.46 0.35 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.621 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.95 118.87 5.43 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.68 27.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 107.983 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.859 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 36.8 t -171.92 103.45 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.732 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.19 -167.84 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -123.65 65.27 33.31 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.732 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.96 -96.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.914 ' O ' HD22 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -105.71 28.74 7.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -45.38 -18.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 12.0 pt-20 -42.23 -23.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.04 -70.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.72 9.85 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.0 t -88.31 -74.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 108.34 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.491 ' H ' ' HA ' ' 2' ' 54' ' ' GLU . 2.6 t -41.73 -36.82 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.6 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.4 mtt180 -92.23 -177.08 4.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -114.89 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.43 89.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.26 -33.47 19.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.26 55.78 27.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.4 1.062 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.427 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.51 142.07 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.04 -8.91 20.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -131.68 49.86 2.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.4 p -66.09 121.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.526 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.73 154.02 6.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 57.14 4.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.394 1.734 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.2 tttp -179.16 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.526 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -98.02 -46.23 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.14 -54.83 27.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.7 m120 -64.21 -5.58 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.0 t30 -106.54 -27.09 11.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.498 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.02 -30.5 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.5 22.91 1.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.7 m -120.12 177.15 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.92 128.36 50.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.6 t80 -89.71 120.98 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.3 t0 -75.69 -89.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.3 t 89.61 -22.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -71.24 -45.04 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.407 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER -119.68 106.95 41.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.92 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.76 -3.2 64.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.605 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.18 -175.56 0.36 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 122.33 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -94.03 28.43 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.957 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.654 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 31.8 t -167.72 103.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.32 -171.45 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.91 39.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.594 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.03 -99.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.498 1.789 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.18 34.25 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 40.8 mm-40 -53.22 -21.94 5.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -27.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.68 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.31 25.29 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.6 -71.91 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 10.0 t -59.05 -38.45 79.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' 1' ' 58' ' ' THR . 19.5 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 30.0 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.655 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -45.28 171.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.6 t -105.29 20.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 30.49 86.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -49.36 -36.04 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 108.366 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.26 60.09 9.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.639 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.74 139.01 24.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.54 14.04 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.605 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.552 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.71 127.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.607 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -167.07 153.81 8.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.458 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.569 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.96 46.98 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -178.95 -15.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.607 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -100.15 -45.21 5.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 62.1 m -55.51 -55.39 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.21 -12.57 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.639 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.37 -26.23 23.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.86 23.07 3.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.9 m -120.27 173.42 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.9 t -114.63 133.58 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 46.5 t80 -89.12 124.01 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -69.08 -97.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.9 t 94.27 -12.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . 0.419 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 10.7 mtp180 -90.07 -57.55 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.513 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 1.4 mt -107.1 116.37 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.64 21.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -6.24 67.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.941 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.85 171.07 4.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.941 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.432 1.754 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.535 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.19 30.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.63 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 4.8 t -165.9 96.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.44 -172.91 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.508 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.34 69.31 31.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -95.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.401 1.738 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -100.87 39.93 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 25.1 mm100 -49.68 -18.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' 2' ' 58' ' ' THR . 3.0 mt-10 -41.77 -25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.88 -68.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.7 mt-10 -137.93 21.85 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -99.92 -52.76 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 108.217 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.575 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 6.5 t -70.75 -31.08 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' NH1' ' CZ ' ' 1' ' 49' ' ' PHE . 3.1 mtt180 -91.4 176.44 6.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.511 ' O ' HG12 ' 1' ' 19' ' ' VAL . 24.3 t -113.69 23.05 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.41 89.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.03 -33.55 18.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.53 57.3 19.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.413 ' O ' HG12 ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -90.34 138.15 27.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -5.45 16.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -123.73 18.36 9.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.621 HG21 ' HE3' ' 1' ' 47' ' ' TRP . 1.2 p -39.99 124.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.721 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.66 153.41 8.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 53.97 3.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.721 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -93.63 -42.65 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 61.0 m -61.18 -56.58 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -65.53 -3.46 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 19.0 t30 -105.46 -28.04 11.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.53 -29.99 23.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.425 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . . . 127.81 22.67 1.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.8 m -118.95 178.27 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -121.01 129.75 53.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 38.4 t80 -81.78 128.92 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.569 ' CB ' ' HA ' ' 1' ' 47' ' ' TRP . 8.0 t70 -63.52 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.0 OUTLIER 89.92 -7.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 3.4 mtp180 -91.14 -60.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.529 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.8 OUTLIER -120.21 130.8 24.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -11.57 21.59 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.89 65.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.859 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -102.35 169.95 6.96 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.387 0.698 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.859 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 115.87 4.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.621 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -85.62 30.3 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.1 t -171.14 96.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.45 -174.41 3.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 111.05 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.17 70.39 42.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.06 -100.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.531 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.4 OUTLIER -93.54 33.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.556 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.6 mm-40 -51.95 -21.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.492 ' O ' HG22 ' 1' ' 58' ' ' THR . 1.0 OUTLIER -41.17 -26.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.43 -72.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -127.29 25.17 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.425 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.4 t -102.61 -61.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.492 HG22 ' O ' ' 1' ' 54' ' ' GLU . 13.5 t -68.84 -35.55 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.965 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.58 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 8.8 mtt180 -91.09 178.48 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -108.54 18.19 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.365 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 85.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -49.28 -36.75 21.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 108.297 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.89 60.16 8.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -92.13 139.7 24.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.004 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 2.5 t-80 -125.54 13.38 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -38.78 127.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.601 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.29 155.02 6.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.497 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 47.91 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 0.9 OUTLIER -178.72 -16.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.601 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -100.55 -45.95 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.5 m -55.65 -55.73 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 108.241 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.42 -12.33 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -94.78 -29.26 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.238 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.74 -24.62 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.3 22.58 3.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.396 1.06 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.62 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.2 m -120.86 167.59 12.36 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.507 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -111.49 134.82 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 47.6 t80 -97.9 116.07 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.545 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.2 OUTLIER -75.63 -84.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.545 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 88.01 -25.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -66.18 -43.2 87.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.428 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER -120.5 105.48 41.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -3.03 13.32 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.28 -6.67 68.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.558 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.73 -176.88 0.44 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.02 119.63 5.72 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.459 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.62 28.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.974 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.639 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 7.4 t -165.62 101.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -142.26 -169.89 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 111.061 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 69.84 31.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.611 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.03 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.407 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -99.71 38.99 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.546 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.0 mm100 -52.04 -17.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.2 pt-20 -43.91 -21.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.27 -66.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' OE1' ' HB1' ' 2' ' 55' ' ' ALA . 14.8 mp0 -139.04 12.69 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -58.24 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . . . . . . . . . 4.5 t -61.44 -34.03 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.585 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 1.5 mtt180 -91.48 -178.81 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.0 t -112.89 21.28 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.82 89.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.38 -33.33 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.65 56.06 26.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.546 1.153 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -91.21 140.98 25.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 0.73 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.04 -7.08 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 54.5 1.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.377 1.048 . . . . 0.0 109.629 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -70.69 124.4 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.536 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -170.2 154.7 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.382 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.577 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.27 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 16.8 tttt 179.42 -24.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.536 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.4 mp0 -97.66 -47.36 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.2 m -65.36 -54.15 33.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 79.2 m-20 -63.47 -6.97 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -106.58 -26.84 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -83.64 -29.41 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 126.2 22.99 1.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 67.2 m -120.08 179.05 4.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -123.66 125.25 44.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.5 t80 -83.52 126.65 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 8.5 t70 -70.43 -98.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.2 t 94.19 -13.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -52.83 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -115.08 109.12 47.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.96 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.23 -1.61 59.35 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.585 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.88 -176.51 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.89 121.68 6.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.581 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -95.32 28.24 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.619 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 24.8 t -167.91 100.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 108.321 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.71 -171.63 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.75 69.31 35.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.638 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -74.98 -98.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.5 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.4 OUTLIER -93.13 33.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.3 mm-40 -53.89 -18.46 3.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.454 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -43.38 -25.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.56 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.7 t -105.52 -51.19 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.5 t -78.99 -43.4 24.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' 1' ' 58' ' ' THR . 65.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 10.8 t70 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.0 mtt180 -44.53 172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.4 t -110.23 22.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 32.1 89.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.605 ' N ' ' HZ1' ' 2' ' 50' ' ' LYS . 1.9 t -51.28 -31.97 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.16 51.18 57.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.427 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -87.56 133.6 37.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.31 22.41 7.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.594 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.626 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -45.0 124.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.608 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -167.05 152.39 7.24 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 48.87 2.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.09 -20.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.608 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -96.97 -43.94 7.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.7 m -61.01 -58.01 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 108.353 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.4 m120 -63.82 -5.17 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 18.9 t30 -103.66 -27.32 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.533 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.78 -26.16 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 123.2 21.45 2.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.9 m -118.76 168.59 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 5.3 t -111.94 133.91 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.2 t80 -88.34 126.26 35.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -67.72 -98.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 89.63 -7.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . 0.441 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.1 OUTLIER -91.05 -56.13 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.54 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER -120.42 127.07 26.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.65 21.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.95 -8.18 67.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -103.47 170.29 6.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.443 1.76 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.616 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.66 29.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.035 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.5 t -171.01 93.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -132.99 -171.81 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.605 ' HZ1' ' N ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -126.23 69.64 67.93 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -97.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.584 1.833 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -96.49 33.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -46.37 -22.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.83 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.41 -66.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.44 15.86 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.545 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -96.46 -86.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 -179.924 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.8 OUTLIER -37.32 -32.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 6.9 mtt180 -91.44 176.26 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.5 t -105.71 20.73 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.75 86.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.02 -35.66 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.92 62.93 2.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.629 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.69 149.87 39.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.95 21.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.06 18.77 10.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.7 p -44.99 121.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.541 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -163.1 154.89 15.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 110.441 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.85 55.59 3.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.56 -21.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.541 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -99.65 -43.59 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.604 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.4 m -56.42 -52.32 65.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m120 -68.55 -2.27 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 20.6 t30 -104.92 -29.04 10.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.629 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.35 -24.69 29.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.486 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.64 24.36 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.0 m -117.83 179.63 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.21 126.13 44.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 45.5 t80 -88.94 121.32 31.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.533 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.81 -84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.533 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.83 -23.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 0.6 OUTLIER -64.96 -43.86 91.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.938 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.64 106.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.43 -6.4 66.22 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.575 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -121.64 -175.42 0.35 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 0.71 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.507 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.32 28.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.728 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 19.6 t -169.48 108.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.63 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.55 -170.38 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.923 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.658 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.07 69.77 29.31 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -99.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -89.89 32.55 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm100 -54.38 -20.85 8.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 3.6 pt-20 -41.53 -26.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.2 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.32 25.33 7.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 5.0 t -105.99 -55.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.9 OUTLIER -90.27 -31.03 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.916 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.537 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 12.4 mtt180 -87.41 173.82 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.578 ' O ' HG12 ' 2' ' 19' ' ' VAL . 51.2 t -103.41 19.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 30.56 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.47 -34.49 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.54 59.35 6.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -91.21 144.15 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.086 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.7 Cg_endo -74.89 -3.89 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.408 1.741 . . . . 0.0 111.048 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.4 OUTLIER -124.07 11.37 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.532 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.75 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -38.93 121.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.625 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.09 158.96 10.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.05 48.96 2.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.21 -16.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.625 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.9 OUTLIER -98.67 -45.74 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 93.2 m -54.82 -56.43 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.88 -11.33 12.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.14 -35.83 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.7 -25.58 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.2 26.64 2.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 49.1 m -119.62 169.6 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.5 t -113.57 133.15 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 54.1 t80 -95.61 116.62 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.44 -84.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.29 -23.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -65.68 -41.54 92.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.503 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.3 mt -120.72 106.88 39.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.1 -6.0 65.36 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.589 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.1 m -120.65 -176.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.589 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 120.11 5.92 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.491 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.9 28.12 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.75 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t -167.45 110.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 108.336 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.604 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -150.15 -171.06 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.44 72.32 38.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -96.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.48 39.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.496 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 31.6 mm-40 -51.94 -19.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.99 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.17 -65.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -143.81 20.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -100.12 -55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.532 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 4.5 t -66.39 -44.03 84.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.598 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.5 mtt180 -89.85 172.21 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.1 t -101.68 18.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.85 87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.221 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -49.59 -37.11 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.273 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.38 63.11 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.47 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 110.974 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.06 19.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.9 OUTLIER -124.23 16.59 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.633 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.546 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -39.05 127.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.706 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.35 153.75 7.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.377 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -179.91 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.706 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -95.91 -44.79 7.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 31.2 m -56.31 -51.1 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.303 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.91 -1.24 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 48.6 t30 -106.32 -29.44 9.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.607 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.1 -24.36 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.485 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.16 26.35 2.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 13.7 m -119.95 -177.99 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.1 t -128.31 125.11 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 108.333 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.5 t80 -88.95 119.49 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.4 t70 -89.28 -82.62 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 86.69 -16.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.975 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.52 -42.76 99.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.9 110.05 33.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.09 -6.33 63.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.577 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.71 -176.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.577 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.12 117.39 4.87 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.429 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -91.88 27.65 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.963 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 42.1 t -169.01 109.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.626 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.96 -170.82 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.643 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -118.6 71.58 9.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.626 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.0 -97.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.651 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.6 OUTLIER -92.65 33.04 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.643 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.02 -25.4 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -36.39 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.91 -64.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.29 14.03 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' 1' ' 53' ' ' GLN . 0.5 OUTLIER -94.0 -88.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.357 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 2.9 t -41.02 -43.83 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' 1' ' 58' ' ' THR . 31.2 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.568 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 6.4 mtt180 -91.06 176.78 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 24.5 t -106.55 20.92 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 30.25 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.61 -35.99 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.92 59.21 8.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.55 140.79 25.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.06 -4.83 15.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -123.63 12.99 9.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.619 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.56 125.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.801 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.03 155.55 12.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 47.2 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.439 1.757 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 2.8 tttt -179.49 -20.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.801 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -94.13 -45.22 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.225 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.0 m -54.67 -56.32 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.13 -14.17 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -90.21 -32.5 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.45 -25.1 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.462 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.76 23.88 3.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.9 m -118.92 173.92 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.53 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.9 t -117.62 130.94 56.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.2 t80 -94.55 119.88 33.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.574 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.89 -83.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.574 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.33 -24.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -64.12 -43.89 93.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.45 106.59 40.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -2.91 13.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.17 -7.21 65.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.566 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.34 -176.35 0.41 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 118.89 5.43 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.506 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.29 28.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.67 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 11.5 t -167.45 105.22 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.45 -169.61 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.89 69.81 37.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -75.0 -99.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.3 OUTLIER -92.64 34.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 27.2 mm100 -50.55 -19.37 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -39.61 -26.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.43 -60.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.482 ' OE2' HG11 ' 1' ' 19' ' ' VAL . 3.7 tt0 -142.93 17.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.3 OUTLIER -95.99 -51.42 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 4.7 t -67.76 -45.53 74.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.192 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 37.0 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.632 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -48.21 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -111.19 21.84 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.41 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.637 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.4 t -46.53 -36.23 6.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.58 60.6 8.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.81 138.72 24.79 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.45 0.735 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.01 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -122.82 15.55 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.584 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -38.67 129.41 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.552 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -168.78 152.15 5.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.427 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 53.59 3.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 tptt 176.7 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.552 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -99.99 -45.05 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.6 m -56.06 -52.8 62.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.484 1.115 . . . . 0.0 108.316 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -67.26 -4.31 10.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 33.3 t-20 -105.17 -25.47 12.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.631 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.1 23.61 2.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 58.4 m -120.55 -175.98 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.2 t -126.5 128.09 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 41.0 t80 -82.01 128.87 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 7.7 t70 -71.28 -98.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.2 t 91.89 -9.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.157 . . . . 0.0 110.057 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.43 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 5.3 mtp180 -90.32 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.513 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.8 OUTLIER -116.84 122.09 31.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -11.96 21.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.36 65.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -104.65 170.32 6.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.567 ' HA ' ' CB ' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.74 29.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.637 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.3 t -166.57 94.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.04 -176.74 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.609 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.46 71.36 13.18 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -75.01 -97.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.609 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.8 mm100 -52.13 -21.77 3.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.2 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.234 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.96 -67.93 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -133.38 24.21 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 2.5 t -105.78 -49.25 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.532 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.9 t -82.34 -45.66 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' 1' ' 58' ' ' THR . 60.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.8 mtt180 -91.05 172.03 8.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.2 t -98.38 17.2 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.5 t0 32.26 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 0.5 OUTLIER -49.39 -36.03 20.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 179.926 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.34 59.62 0.79 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.792 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.8 m-85 -90.6 158.85 42.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.596 0.821 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -11.18 21.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.4 OUTLIER -116.58 5.99 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.551 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.3 p -39.69 112.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.54 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.39 164.23 10.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.8 2.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -19.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.54 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -98.17 -44.75 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 95.6 m -54.42 -56.7 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.27 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.81 -9.52 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.26 -37.44 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.471 ' HD3' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.75 -28.54 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.511 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 120.41 27.41 1.99 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 67.6 m -112.51 173.07 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.6 t -117.6 125.02 50.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 78.7 t80 -92.79 119.17 31.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.9 t70 -87.4 -83.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 88.22 -15.74 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -64.77 -40.77 95.81 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' 2' ' 45' ' ' VAL . 0.8 OUTLIER -122.07 109.62 33.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -5.38 16.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.3 -6.81 62.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.64 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.4 m -120.96 -177.96 0.54 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.64 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.426 ' NE1' ' HA ' ' 2' ' 43' ' ' PRO . 0.0 OUTLIER -90.46 29.4 1.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.88 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 25.3 t -170.21 111.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -149.91 -168.01 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.79 70.6 48.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.643 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.88 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.455 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -94.7 36.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.2 mm100 -51.77 -19.56 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 11.9 pt-20 -41.44 -23.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.51 -60.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.38 17.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -95.94 -51.46 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.9 t -70.86 -33.46 70.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 5.4 mtt180 -92.08 173.12 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.3 20.79 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.45 86.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.558 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -46.94 -34.08 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.354 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.6 60.87 5.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.646 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.34 143.44 27.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -7.74 19.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.24 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.586 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.6 p -40.03 125.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.545 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.08 155.47 7.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 54.02 3.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.512 1.796 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 109.345 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.545 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -99.15 -44.62 6.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.2 m -55.51 -52.45 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.397 1.061 . . . . 0.0 108.246 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -68.43 -2.38 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -101.68 -32.54 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.646 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.04 -23.97 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.41 25.22 2.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -116.62 178.99 4.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -124.15 125.65 44.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 57.9 t80 -90.11 121.84 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.5 t70 -89.88 -82.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.9 OUTLIER 89.87 -20.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.409 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 7.1 mtp180 -51.68 -55.91 16.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.65 126.57 27.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.29 21.44 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.66 -8.14 62.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.82 169.4 6.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 0.746 . . . . 0.0 109.313 -179.929 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.08 110.35 3.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.439 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.89 30.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.586 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 12.2 t -168.56 102.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 108.334 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -144.83 -172.06 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 111.048 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.35 71.97 26.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.65 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -98.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.436 1.756 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.563 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.6 OUTLIER -93.74 32.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.6 mm-40 -51.4 -19.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.212 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.09 -27.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.56 -74.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.21 24.14 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.2 t -105.54 -53.07 2.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.235 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.447 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -82.8 -33.41 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.472 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 50.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.679 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.4 mtt180 -89.13 -179.99 6.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.5 t -112.09 19.84 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.41 90.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.92 -33.33 56.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.44 50.85 58.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -84.09 138.26 39.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -7.12 18.84 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -121.41 19.27 11.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.639 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.674 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.4 p -38.41 118.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.592 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -166.75 151.63 7.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.11 50.12 2.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.579 1.831 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.6 tttt -174.83 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.592 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -96.65 -43.21 7.66 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.7 m -61.96 -56.1 22.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.6 -5.28 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 17.6 t30 -102.97 -29.41 11.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.472 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.49 -32.63 19.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.541 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 130.69 22.4 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.6 m -123.1 161.67 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.669 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 34.3 t80 -89.38 120.58 30.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -80.02 -84.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.15 -22.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -67.39 -41.04 85.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.419 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.3 mt -120.76 106.72 39.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -4.89 16.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.85 65.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.599 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.7 -175.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.674 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.42 26.47 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.644 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 17.2 t -169.84 101.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.67 -168.51 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 67.54 60.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.692 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.94 -97.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.794 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -95.23 36.35 1.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.594 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -44.58 -23.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.571 ' HG3' HD12 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -36.5 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.09 -64.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.63 13.62 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.51 -56.63 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.475 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 13.7 t -69.99 -41.14 74.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.442 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.475 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.594 1.184 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.82 170.63 9.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.196 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.623 ' O ' HG12 ' 1' ' 19' ' ' VAL . 89.3 t -99.6 18.48 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 31.8 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.55 -34.12 48.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.254 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.18 60.22 2.0 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.658 ' CE2' ' HD3' ' 1' ' 34' ' ' ARG . 1.2 m-85 -91.92 156.55 42.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.791 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 1.3 m170 -109.81 9.78 24.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.618 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.834 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -38.2 114.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.631 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -166.76 155.33 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.608 ' HB3' ' CD1' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 55.19 3.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.75 -24.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.631 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.7 OUTLIER -97.05 -40.6 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.6 m -61.39 -54.45 43.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.355 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.7 m120 -70.52 4.15 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 26.2 t30 -107.35 -32.04 7.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.658 ' HD3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -88.66 -33.15 17.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 133.89 24.17 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.472 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . 60.8 m -116.6 166.81 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.527 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 1.9 t -116.3 123.38 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' HB3' ' 1' ' 28' ' ' PRO . 36.1 t80 -93.22 121.27 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.6 t70 -86.55 -82.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 87.94 -16.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -63.28 -42.84 99.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.78 111.82 32.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -4.42 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.624 1.855 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.47 -6.3 61.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.649 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.4 m -120.04 -178.05 0.53 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.649 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 115.99 4.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.14 28.5 1.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 108.016 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.834 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 38.8 t -171.44 110.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.0 -169.07 3.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.15 70.51 21.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.633 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -101.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.543 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -91.94 35.49 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm-40 -55.0 -26.43 36.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.282 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -38.9 -29.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.93 -62.01 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.27 15.7 7.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -91.34 -81.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.503 ' CB ' ' HG3' ' 2' ' 54' ' ' GLU . 1.1 t -53.85 -34.22 58.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 44.4 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 16.8 mtt180 -91.09 169.4 10.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.5 t -95.31 15.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.389 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.63 80.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.698 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 5.6 t -44.31 -39.58 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.15 61.4 2.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.704 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -91.55 153.28 44.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -5.62 17.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -124.54 8.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.549 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.844 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -38.17 116.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.98 162.57 9.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.43 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.476 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.04 49.47 2.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.1 OUTLIER -179.28 -18.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.148 . . . . 0.0 109.362 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -99.13 -44.83 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.9 m -56.36 -57.48 12.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 108.278 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.32 -13.14 11.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.221 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.5 t30 -89.62 -34.17 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.436 ' HA ' ' OH ' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.25 -25.87 29.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 116.86 25.02 3.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.6 m -115.43 170.07 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.3 t -114.58 128.33 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.323 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 73.0 t80 -94.62 117.36 30.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.9 t70 -84.47 -82.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 2.1 t 88.03 -15.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -42.67 96.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.96 110.98 32.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -5.84 17.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.572 1.827 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.42 -5.96 64.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.567 1.167 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.639 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.5 m -121.34 -178.54 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.639 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.9 117.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.58 1.832 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -92.65 29.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 107.949 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.844 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 22.1 t -169.99 106.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 108.333 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -147.54 -168.56 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -119.7 70.13 13.11 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.688 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.04 -96.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.431 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.47 41.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.547 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 19.5 mm100 -49.14 -18.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.36 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.903 ' O ' HG22 ' 2' ' 58' ' ' THR . 8.4 mt-10 -43.34 -23.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -39.61 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -113.9 13.78 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -91.57 -68.99 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.903 HG22 ' O ' ' 2' ' 54' ' ' GLU . 15.0 t -53.08 -31.25 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -50.38 174.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.84 18.3 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.9 OUTLIER 34.73 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.47 -32.63 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.89 59.2 4.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.673 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -90.87 143.52 28.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 18.6 Cg_endo -74.94 -8.99 20.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -120.3 15.39 12.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.622 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -41.53 126.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.542 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.94 153.73 8.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 53.13 3.26 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.46 -17.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.542 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -101.11 -44.98 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.578 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 48.3 m -55.68 -51.26 67.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -69.15 -2.14 9.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.6 t30 -105.02 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.673 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.41 -24.28 29.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.26 24.87 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -119.12 -179.61 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -125.69 125.49 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 59.0 t80 -92.41 120.22 32.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.7 t70 -89.31 -81.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.02 -17.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.658 1.224 . . . . 0.0 109.962 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.54 -45.29 94.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -119.04 118.81 32.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.22 21.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.69 -10.15 63.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.817 HG22 ' CD ' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -109.16 173.0 3.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.517 0.775 . . . . 0.0 109.244 -179.923 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.817 ' CD ' HG22 ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -88.51 29.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 108.024 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.63 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 19.3 t -169.35 106.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.46 -170.54 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.64 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 71.69 23.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.05 -96.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.09 32.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.64 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.0 mm100 -51.77 -20.57 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.551 ' HG2' HG22 ' 1' ' 58' ' ' THR . 2.2 tm-20 -39.02 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.17 -65.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.03 25.83 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -63.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.322 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.551 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -66.92 -42.26 85.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.462 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 11.4 t70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.667 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 14.7 mtt180 -47.9 178.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.516 ' O ' HG12 ' 2' ' 19' ' ' VAL . 23.4 t -115.29 21.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.15 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.555 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 56.53 23.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.55 141.25 27.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.39 21.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.532 1.806 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.45 31.43 5.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.699 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.1 p -51.43 120.01 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.593 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -168.72 154.97 6.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 50.8 2.63 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -174.26 -22.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.593 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -99.04 -45.6 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 12.6 m -62.95 -54.31 40.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -65.96 -4.65 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 16.9 t30 -104.3 -29.4 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.461 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.14 -34.01 19.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 130.52 26.48 0.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.5 m -120.8 170.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 2.2 t -117.74 127.31 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.362 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.6 t80 -98.55 117.33 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.3 t70 -84.66 -80.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 87.97 -18.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -58.27 -50.73 72.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -116.66 124.39 29.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -14.76 21.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.0 67.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.894 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.21 169.96 6.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.894 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.05 115.81 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.547 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.01 28.51 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 108.036 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.699 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 19.3 t -171.03 102.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.355 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.682 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.84 -172.98 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.945 -179.908 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -120.87 68.48 16.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.98 -109.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.761 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.96 ' O ' HD22 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.13 38.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 39.6 mm-40 -50.6 -20.88 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -40.85 -23.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.61 -66.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -140.24 15.57 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.43 -56.94 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.498 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.4 t -66.37 -42.28 88.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.9 mtt180 -49.04 175.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.651 ' O ' HG12 ' 1' ' 19' ' ' VAL . 84.2 t -108.06 17.89 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 34.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.06 -36.58 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.275 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.01 61.65 5.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.622 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.46 141.28 24.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.933 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.75 14.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 17.91 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.576 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -41.75 128.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.693 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.88 153.68 8.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 52.4 3.04 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.92 -20.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.693 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -96.6 -44.08 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.341 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.9 m -56.47 -51.3 68.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 0.0 108.252 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -68.75 -2.77 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.7 t-20 -104.53 -28.62 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.11 -24.84 30.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.4 25.12 2.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 28.2 m -120.49 -179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -125.57 125.27 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 108.282 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.7 t80 -91.38 121.36 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 18.7 t70 -90.32 -82.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -17.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.65 119.0 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.421 1.748 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.62 -9.84 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.806 HG22 ' CD ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER -109.59 172.93 3.23 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.806 ' CD ' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.453 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -88.88 30.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 107.977 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.2 t -169.85 103.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -144.73 -170.95 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.94 70.38 14.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.78 32.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.639 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.4 mm-40 -54.74 -20.78 9.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.8 -26.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.16 -70.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -128.36 23.93 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.5 t -104.23 -55.28 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.424 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.1 t -86.54 -37.62 18.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 52.9 t0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.684 ' NH1' ' CZ ' ' 2' ' 49' ' ' PHE . 6.2 mtt180 -91.09 177.89 6.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 17.5 t -112.97 24.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.092 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.91 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.8 t -48.77 -34.86 13.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 57.02 21.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -90.13 138.1 27.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.09 -4.87 16.02 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.493 1.786 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 19.95 9.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.66 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.7 p -41.79 122.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.6 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.08 154.8 6.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 48.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttp -176.22 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.6 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mp0 -99.92 -43.99 6.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 80.6 m -61.75 -57.17 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.336 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -65.56 -3.32 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -103.63 -29.68 10.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.478 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.86 -31.99 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 129.01 24.56 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.1 m -120.6 169.47 10.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -111.87 133.69 53.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.271 -179.925 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.5 t80 -88.62 124.24 33.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -61.52 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 2.0 t 90.46 -8.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . 0.411 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 3.5 mtp180 -91.41 -58.09 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.54 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER -119.63 125.99 27.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.22 19.96 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.07 -7.71 60.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -103.76 172.51 4.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.804 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.66 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.96 31.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 108.045 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.2 t -173.72 96.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.203 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.702 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -135.85 -175.97 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -122.75 69.5 35.51 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.697 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.95 -100.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.887 HD13 ' C ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -99.6 36.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 37.4 mm-40 -47.26 -22.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.2 OUTLIER -35.8 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.49 -61.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 15.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.485 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -89.93 -58.52 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.431 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 6.8 t -71.16 -36.51 72.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 4.8 mtt180 -92.18 175.06 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -107.99 20.72 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.78 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -53.24 -34.5 57.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.382 1.051 . . . . 0.0 108.291 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.69 54.62 35.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.22 139.37 27.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.949 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.93 -6.85 18.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -128.6 37.83 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -56.15 120.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.435 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.1 152.97 6.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.05 58.58 4.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.4 ttmt 178.92 -25.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.5 mt-10 -98.62 -45.62 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -63.4 -54.86 30.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m120 -64.9 -5.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -106.11 -27.26 11.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.62 -30.18 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.99 23.33 1.31 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.3 m -120.28 177.25 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.546 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -123.36 127.81 49.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.203 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 47.1 t80 -91.58 120.52 32.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.585 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -81.95 -83.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 85.03 -23.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.932 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -64.58 -43.42 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.507 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.01 109.85 35.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.082 . . . . 0.0 109.251 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.53 -3.45 62.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.602 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.47 -176.99 0.43 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.602 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.24 5.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.562 1.822 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.541 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.12 25.97 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.665 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 37.1 t -168.62 104.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.266 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.6 -171.16 3.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.614 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.19 69.33 29.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.04 -104.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.442 1.759 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -86.48 31.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.614 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 35.1 mm-40 -51.73 -18.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.457 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.57 -25.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.91 -67.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -131.24 23.65 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.0 t -103.82 -53.51 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.457 HG22 ' O ' ' 1' ' 54' ' ' GLU . 3.0 t -68.35 -42.7 78.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 2.9 mtt180 -92.15 176.37 6.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.575 ' O ' HG12 ' 2' ' 19' ' ' VAL . 47.2 t -108.36 18.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 34.02 89.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.88 -33.36 61.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.18 56.92 18.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.45 141.6 27.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 111.016 179.923 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.06 -8.08 19.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.58 32.11 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.746 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.3 p -51.91 117.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.31 155.6 8.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.8 2.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 3.3 ttpt -174.38 -23.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -98.1 -45.98 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.325 179.927 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.8 m -63.31 -56.84 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 108.31 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.68 -6.71 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.8 t30 -103.72 -27.75 12.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.2 -25.88 21.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.501 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.67 22.56 2.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.0 m -120.3 166.57 13.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.486 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 2.8 t -114.64 126.29 54.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 52.3 t80 -92.31 119.97 32.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.8 t70 -85.3 -82.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 85.33 -13.04 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -44.31 80.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.51 111.28 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.433 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -4.29 15.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.458 1.767 . . . . 0.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.6 -6.39 64.11 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.617 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -122.13 -176.46 0.42 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.617 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.507 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -93.21 28.13 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.746 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 48.9 t -169.2 110.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.629 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -147.22 -167.71 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.3 70.16 42.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.629 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.97 -94.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -98.91 38.17 1.42 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -50.78 -19.52 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.577 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.8 OUTLIER -41.35 -24.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -27.96 -72.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -135.02 10.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.1 -59.04 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.5 t -48.77 -40.98 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 51' ' ' PRO . 5.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.608 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.9 mtt180 -92.11 -178.36 4.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -112.82 21.82 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.33 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -50.19 -33.51 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.247 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.74 54.01 37.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.578 1.174 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -88.88 137.88 29.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -4.96 16.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -129.4 37.89 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.641 HG21 ' HE3' ' 1' ' 47' ' ' TRP . 1.4 p -56.94 123.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.55 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -167.49 150.95 5.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 55.19 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.827 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 10.9 tttt 179.54 -23.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.55 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -97.36 -45.35 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.4 m -63.12 -56.38 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.238 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -63.29 -6.26 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.4 t30 -106.34 -24.99 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.544 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.0 -27.82 21.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 125.75 23.18 1.7 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 83.5 m -120.39 178.16 4.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 12.0 t -123.85 127.67 48.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 40.7 t80 -87.93 124.44 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' 1' ' 47' ' ' TRP . 36.6 t0 -79.24 -88.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.3 t 87.61 -24.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.405 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 18.4 mtp180 -71.77 -44.42 64.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.204 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.424 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -120.2 105.92 41.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.55 15.57 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.72 64.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.608 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.2 -175.72 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 121.34 6.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.641 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -93.98 28.09 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 23.7 t -166.49 101.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.15 -170.14 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 67.14 39.67 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -94.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.916 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.0 OUTLIER -88.68 26.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.639 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 71.9 mm-40 -57.41 -26.28 60.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.5 pp20? -40.29 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' 1' ' 59' ' ' PHE . . . -46.64 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -97.92 20.17 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 6.2 t -106.9 -62.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.494 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -92.45 -4.65 53.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.801 ' O ' HG21 ' 2' ' 19' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 20.4 mtt180 -91.31 179.77 5.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.801 HG21 ' O ' ' 1' ' 59' ' ' PHE . 25.5 t -108.11 16.79 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.505 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.81 84.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.651 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 3.2 t -49.15 -36.63 19.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.31 61.0 3.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.653 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -91.2 148.67 38.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.4 Cg_endo -74.89 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.3 m-70 -126.47 12.25 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.833 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -39.13 115.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.517 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -164.42 160.11 15.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.03 48.46 2.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.424 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 15.7 tttt -177.74 -16.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.517 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -101.11 -44.24 5.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.23 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 83.1 m -57.87 -56.33 23.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 108.209 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.31 -12.56 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.469 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 36.0 t-20 -93.72 -29.61 15.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.458 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.06 -26.08 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.483 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.66 26.81 2.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.6 m -122.57 166.1 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -112.32 122.02 46.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 108.277 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 52.5 t80 -87.24 122.63 31.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.0 t70 -89.99 -81.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.61 1.194 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.18 -14.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -66.05 -41.38 90.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.84 110.62 31.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 -5.3 16.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -8.02 65.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.605 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.62 -177.26 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.371 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 117.5 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.544 ' O ' ' CD1' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.04 27.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.833 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 35.1 t -171.43 101.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.64 -167.22 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.589 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 67.77 19.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.689 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -96.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.769 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -95.19 42.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.589 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.6 mm100 -59.57 -21.61 60.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 45.8 mt-10 -48.67 -22.41 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.22 -59.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 14.7 mt-10 -152.02 22.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -105.07 -65.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 108.288 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 0.8 OUTLIER -56.78 -52.34 65.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.543 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.72 170.53 10.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.552 ' O ' HG12 ' 1' ' 19' ' ' VAL . 45.6 t -96.59 18.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.69 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.28 -35.85 28.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.63 62.3 4.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -90.64 144.0 29.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.97 21.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -122.93 18.51 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.559 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.3 127.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -164.55 151.24 9.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.442 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 52.55 3.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.06 -20.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.612 1.195 . . . . 0.0 109.318 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.589 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -97.8 -43.69 7.04 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.9 m -55.99 -52.06 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -66.86 -6.12 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -102.71 -26.69 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.604 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.77 -23.32 29.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.44 25.16 2.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 38.6 m -120.71 -177.05 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.585 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -128.19 126.23 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.249 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.28 121.57 30.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.24 -82.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.4 OUTLIER 85.47 -23.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 4.1 mtp180 -62.27 -44.42 96.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.444 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -119.79 107.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.5 1.789 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.92 -3.98 61.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.583 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -122.01 -175.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.583 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.1 118.38 5.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.571 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -92.71 30.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.055 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.3 t -168.83 108.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.374 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.602 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.25 -170.45 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.6 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.48 70.01 23.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.602 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.98 -100.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.845 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -90.14 33.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.3 mm-40 -56.21 -23.85 38.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.632 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.26 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.96 -78.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.01 24.32 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 6.7 t -105.36 -60.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.186 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.632 HG22 ' O ' ' 1' ' 54' ' ' GLU . 3.1 t -63.42 -29.21 70.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.3 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 19.4 mtt180 -90.26 -178.3 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.563 ' O ' HG12 ' 2' ' 19' ' ' VAL . 47.1 t -110.14 18.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.6 OUTLIER 33.34 84.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 5.3 t -49.61 -37.22 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 108.243 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.04 61.58 3.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.63 ' CE2' ' SG ' ' 2' ' 21' ' ' CYS . 0.2 OUTLIER -91.27 149.38 39.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 0.794 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.07 -7.03 18.74 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -123.63 12.59 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.616 179.902 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.817 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.11 115.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.574 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -161.68 157.23 20.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.475 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 48.56 2.03 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.59 1.837 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 4.5 tttt -178.44 -17.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.207 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.574 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -99.55 -43.53 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 96.1 m -56.98 -55.86 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.07 -10.34 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -95.02 -31.71 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.486 ' HB2' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -85.45 -27.81 25.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.542 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 121.5 26.53 1.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 82.6 m -123.22 164.32 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.548 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -111.45 122.74 48.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 34.0 t80 -85.35 123.03 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.587 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.75 -82.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -64.05 -44.32 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.452 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.5 OUTLIER -117.37 109.3 42.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.8 17.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.781 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.43 -3.97 62.72 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.559 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER -121.16 -177.57 0.5 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.16 4.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.84 27.91 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 107.991 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.817 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.7 t -171.18 101.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.696 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.82 -167.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.16 66.93 43.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.692 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.05 -96.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.422 1.749 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.754 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -96.06 42.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.578 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.7 mm100 -57.07 -16.98 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.6 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -48.14 -19.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.78 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.77 10.9 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 1.3 t -86.61 -61.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.6 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.8 t -49.56 -38.62 31.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 110.952 -179.975 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.9 mtt180 -91.38 171.69 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.577 ' O ' HG12 ' 1' ' 19' ' ' VAL . 48.6 t -98.69 17.27 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 32.97 85.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.73 -36.91 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.05 62.78 2.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.581 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.7 OUTLIER -91.64 156.32 43.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.23 20.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -132.58 53.43 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.694 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -74.65 125.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.521 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -165.29 157.22 13.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.04 55.61 4.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.13 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.521 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.1 mp0 -99.76 -48.8 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.3 m -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m120 -66.98 -4.53 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 48.6 t-20 -104.75 -27.16 11.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.85 -25.08 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 -179.939 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.06 26.21 2.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.8 m -120.91 -177.84 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -129.53 122.16 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 108.276 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 54.8 t80 -87.93 123.55 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.5 t70 -90.39 -84.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 89.6 -15.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.936 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -64.28 -43.46 94.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -121.77 109.39 34.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.86 -6.24 62.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.586 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -122.14 -175.61 0.37 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.261 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 117.38 4.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.441 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -92.48 30.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.694 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 51.8 t -171.62 110.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.621 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -146.65 -168.34 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.645 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.55 69.26 15.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.621 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.05 -100.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.882 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -88.28 31.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.645 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.0 mm100 -53.33 -24.36 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.5 ' HG2' HG22 ' 1' ' 58' ' ' THR . 0.7 OUTLIER -38.0 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.2 -55.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -139.78 21.03 2.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 0.6 OUTLIER -96.6 -74.65 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.5 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -61.61 -41.71 97.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.539 ' O ' ' CG ' ' 1' ' 59' ' ' PHE . 70.4 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.592 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.3 mtt180 -93.12 174.54 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 20.8 t -103.72 17.4 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.4 t0 34.67 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -50.9 -36.92 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 108.324 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.15 59.56 9.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.618 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.15 140.6 25.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.22 13.73 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.592 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.13 125.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.768 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.43 154.85 11.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.88 47.25 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.6 tttp -179.55 -19.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.768 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -95.62 -44.5 7.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.9 m -55.63 -55.69 29.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.332 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.35 -12.39 13.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.4 t30 -93.0 -30.28 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.618 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.81 -25.85 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.64 24.48 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.1 m -121.13 168.64 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.516 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -114.8 128.69 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 49.2 t80 -93.55 119.36 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 32.2 t70 -83.24 -81.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.73 -14.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.07 -45.95 79.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.059 . . . . 0.0 110.34 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.476 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 0.8 OUTLIER -121.05 113.52 32.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -5.0 16.24 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.71 61.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.518 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.94 179.96 0.84 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 114.89 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -90.97 30.27 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 108.009 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.672 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.2 t -169.93 105.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.659 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.62 -167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 1.188 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.555 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.79 68.96 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.659 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -93.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.446 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.37 40.05 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.555 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.0 mm100 -50.29 -20.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -40.29 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.317 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.31 -68.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.27 9.54 3.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.8 -53.0 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 108.262 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.428 HG22 ' O ' ' 2' ' 54' ' ' GLU . 4.1 t -73.08 -32.42 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 -179.963 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.6 mtt180 -50.57 -178.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 ' O ' HG12 ' 1' ' 19' ' ' VAL . 38.5 t -113.37 20.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 32.54 88.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -50.16 -34.97 24.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 108.28 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.73 59.46 6.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.617 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.05 143.48 28.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.972 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.4 Cg_endo -75.06 -8.88 20.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 35.4 m170 -119.76 13.03 12.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.2 p -37.87 125.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.571 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.73 154.82 7.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.389 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 53.17 3.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.66 -19.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.571 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -99.08 -43.95 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 59.9 m -56.13 -52.35 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -68.68 -1.98 8.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 18.2 t-20 -101.81 -33.36 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.617 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.64 -24.61 36.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.32 24.39 2.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.3 m -115.53 179.19 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.3 t -123.95 125.73 45.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 108.306 -179.921 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -89.32 120.03 30.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.563 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -83.15 -83.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -64.45 -44.52 90.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.2 107.82 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 17.8 Cg_endo -75.08 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.439 1.757 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.73 -6.32 65.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.562 ' CB ' ' CD ' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -121.27 -175.57 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 119.41 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.45 27.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 108.072 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.636 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 14.9 t -167.99 109.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.66 -171.97 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.87 71.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.614 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.96 -99.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.544 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -91.66 33.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.5 mm-40 -53.53 -18.46 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.0 -25.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.6 -69.44 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -127.62 22.24 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.0 t -99.75 -73.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.422 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -50.53 -29.28 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.1 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.614 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 14.4 mtt180 -92.44 170.34 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.1 t -92.8 13.31 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 1.4 t0 35.01 80.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.689 ' SG ' ' CD1' ' 2' ' 23' ' ' TYR . 2.2 t -47.84 -37.68 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 108.342 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.82 60.79 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.808 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.2 m-85 -93.06 157.69 38.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -12.79 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.502 ' CG ' ' HG2' ' 2' ' 30' ' ' GLU . 0.8 OUTLIER -115.4 5.05 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.835 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.3 p -38.02 115.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.731 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -165.26 161.53 14.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.49 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 49.96 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.99 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.731 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -93.28 -45.05 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 92.6 m -54.48 -57.09 12.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -60.94 -12.78 12.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 8.1 t30 -88.48 -36.3 16.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.48 -25.81 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 117.68 24.28 3.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.2 m -112.61 170.92 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.568 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.31 125.43 52.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 108.316 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.7 t80 -91.84 119.57 31.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 24.4 t70 -88.02 -83.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.68 -16.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -61.93 -43.53 98.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.93 110.21 33.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.45 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.94 14.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -8.2 63.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.604 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.46 -175.74 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.45 ' NE1' ' HA ' ' 2' ' 43' ' ' PRO . 0.0 OUTLIER -91.45 29.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.835 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 38.2 t -171.61 116.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 108.37 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.687 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -153.71 -166.9 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.528 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.2 69.57 20.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.687 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -104.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.425 ' H ' ' HB2' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -91.29 39.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 23.0 mm100 -49.97 -19.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.591 ' HB2' HG21 ' 2' ' 58' ' ' THR . 12.2 pt-20 -42.71 -23.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.72 -66.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -138.45 15.79 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.07 -57.78 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.591 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 7.0 t -66.59 -27.64 67.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 t0 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.563 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 16.0 mtt180 -91.82 173.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.9 t -101.48 17.46 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 34.12 85.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.637 1.211 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.636 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 4.1 t -46.82 -39.17 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.6 61.02 2.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' SG ' ' 1' ' 21' ' ' CYS . 1.5 m-85 -91.84 153.38 43.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.64 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -137.86 46.97 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.663 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -73.35 127.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.683 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -163.05 155.39 15.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.632 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.08 52.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.683 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -96.66 -46.76 6.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' 1' ' 26' ' ' VAL . 9.5 m -55.4 -53.46 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.57 -6.64 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.7 t30 -101.3 -29.38 12.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -82.64 -28.08 30.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.512 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 123.66 27.09 1.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 74.5 m -119.47 -177.98 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 7.4 t -127.72 121.02 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 42.6 t80 -88.11 123.44 32.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.2 t70 -91.45 -80.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.64 -13.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -65.25 -43.47 91.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.3 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.424 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.88 111.64 32.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.54 -4.82 59.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -120.99 -177.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.4 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.4 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 28.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.943 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.663 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.4 t -171.99 107.25 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -140.38 -167.69 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.638 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.8 67.83 41.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -100.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -87.57 36.25 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.638 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -59.72 -20.87 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -48.68 -21.1 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -44.49 -64.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.49 16.85 11.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 42.6 t -97.95 -87.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.8 t -44.71 -33.36 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 1' ' 58' ' ' THR . 40.1 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 23.5 t70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.653 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -49.3 -179.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -114.95 18.45 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.52 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.85 -33.82 62.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.18 57.77 17.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -91.39 139.62 25.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.6 Cg_endo -74.9 -8.4 20.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -125.59 29.68 5.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -50.08 121.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.616 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -169.6 155.35 5.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 50.44 2.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.906 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.4 tttt -174.98 -22.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.616 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.2 OUTLIER -97.89 -45.56 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.6 m -63.38 -55.38 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.1 -5.34 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 14.6 t30 -104.23 -29.58 10.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -86.49 -29.92 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.484 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.47 1.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.3 m -120.95 168.95 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.471 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 4.7 t -115.35 128.16 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.6 t80 -95.47 121.41 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.6 t70 -88.64 -84.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.9 OUTLIER 90.41 -17.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.97 -53.11 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.4 ' HB ' ' HB ' ' 2' ' 45' ' ' VAL . 0.5 OUTLIER -112.83 121.61 38.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.38 -8.92 65.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.59 170.96 4.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 113.65 3.83 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.545 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.92 28.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 -179.978 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.657 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 18.8 t -169.52 101.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.692 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.6 -168.47 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 111.008 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.32 62.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.692 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.93 -98.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -94.42 38.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.586 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.5 mm100 -49.18 -20.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.897 ' O ' HG22 ' 2' ' 58' ' ' THR . 3.0 pt-20 -41.58 -25.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.85 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.413 ' OE1' HG11 ' 1' ' 19' ' ' VAL . 0.7 OUTLIER -109.72 14.77 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 6.7 t -92.82 -68.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.897 HG22 ' O ' ' 2' ' 54' ' ' GLU . 12.3 t -48.65 -22.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 t0 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 8.3 mtt180 -91.42 169.37 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 11.4 t -98.37 22.29 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.56 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 27.44 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.7 OUTLIER -48.39 -36.47 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.55 59.91 8.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.94 141.04 26.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 0.748 . . . . 0.0 110.931 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.89 19.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.607 1.846 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.5 32.15 5.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.595 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -54.15 128.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.548 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.16 151.97 6.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 57.1 4.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 175.9 -22.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.548 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -98.73 -46.52 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 21.6 m -55.97 -51.71 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.55 -3.43 8.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t30 -105.64 -27.82 11.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.636 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.88 -25.79 29.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.04 25.49 2.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.8 m -121.22 -178.28 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 8.1 t -126.49 124.69 40.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 48.7 t80 -86.71 121.87 29.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -86.17 -82.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 84.35 -22.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.413 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 2.2 mtp-105 -62.55 -44.19 96.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.532 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -119.98 110.32 36.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.23 17.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.49 -2.5 63.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.565 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -121.46 -177.89 0.54 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.576 0.81 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 117.26 4.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.547 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.17 28.2 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 14.3 t -169.19 105.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.94 -170.15 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.621 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.11 69.24 38.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.615 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.01 -101.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.66 33.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -56.3 -21.31 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.23 -25.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.3 -65.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.445 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.1 mt-10 -135.64 24.69 3.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -104.44 -55.21 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.9 t -68.51 -38.67 81.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 9.1 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.3 mtt180 -90.02 178.78 6.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 12.1 t -109.06 19.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.4 84.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.5 -37.1 16.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 108.328 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.04 59.28 7.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -90.82 142.83 28.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 179.948 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -2.35 12.42 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.413 1.744 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.4 t-160 -125.71 10.85 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.62 122.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.587 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.39 158.05 9.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.963 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -75.02 48.1 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER 179.83 -15.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.587 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.8 OUTLIER -100.34 -45.17 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 97.8 m -55.67 -55.65 29.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.525 1.141 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.19 -11.32 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -91.53 -33.61 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.96 -25.18 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.513 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.42 25.71 2.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.062 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.2 m -121.87 162.46 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.514 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -109.15 125.84 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 108.245 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 40.7 t80 -88.45 120.0 29.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.554 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.7 -83.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.3 t 85.6 -22.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -66.1 -41.83 90.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.09 107.65 37.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 -5.33 16.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.14 -7.25 68.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.614 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.2 m -121.37 -175.54 0.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.614 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 121.11 6.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.46 26.61 2.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.738 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.5 t -168.81 105.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -144.68 -171.26 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.614 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.83 69.28 25.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.653 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -93.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.739 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.26 38.17 1.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.614 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.6 mm100 -51.26 -21.29 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -39.33 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.942 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.11 -65.13 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.07 14.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.5 -54.42 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 -179.989 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.433 HG22 ' O ' ' 2' ' 54' ' ' GLU . 6.5 t -61.68 -43.64 98.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.943 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.58 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.6 mtt180 -90.45 171.86 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.6 t -102.24 19.3 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 31.49 86.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.24 -35.5 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.272 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.71 58.71 10.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.16 140.54 25.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 42.0 m-70 -126.75 12.33 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.714 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -37.96 124.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.732 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -164.51 156.33 13.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.54 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.396 1.735 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.03 -19.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.732 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -93.98 -45.71 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 85.9 m -55.43 -56.56 18.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 108.326 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.9 m120 -61.0 -9.02 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.382 1.051 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 8.5 t30 -95.03 -36.54 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.633 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.02 -23.1 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.13 20.76 3.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.7 m -120.57 156.85 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' 1' ' 51' ' ' PRO . 0.5 OUTLIER -100.82 125.39 47.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.257 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.29 119.0 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.907 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -79.32 -83.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 1.7 t 85.95 -23.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -64.53 -46.19 83.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.503 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -115.2 109.19 46.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.73 15.82 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.4 -3.7 61.26 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.58 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.08 -178.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.526 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.511 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.53 29.14 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.714 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 7.4 t -170.12 101.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.357 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -141.05 -171.5 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.627 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.57 68.82 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.932 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.675 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.03 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.57 1.826 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.695 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -91.62 39.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 10.9 mm-40 -54.98 -21.06 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.472 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.5 OUTLIER -43.39 -23.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.75 -67.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -118.27 16.1 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 9.1 t -98.88 -90.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -37.61 -33.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.7 t80 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.507 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 21.2 mtt180 -85.9 178.43 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.678 ' O ' HG12 ' 2' ' 19' ' ' VAL . 87.3 t -108.88 19.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 31.64 90.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -55.94 -31.69 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.333 179.948 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.65 56.01 17.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.445 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -85.55 143.15 38.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.507 0.769 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 -14.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 27.27 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.635 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.6 OUTLIER -43.08 114.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.605 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.44 154.2 7.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 50.06 2.43 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.2 tttp -170.5 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.605 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -98.64 -44.78 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 16.4 m -62.52 -55.79 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.89 -4.79 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.9 t30 -102.88 -29.95 11.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.479 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.61 -30.64 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.29 23.62 1.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.7 m -118.17 174.79 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.4 t -123.41 124.13 42.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 82.3 t80 -90.88 122.49 33.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -90.26 -83.72 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 88.06 -15.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -42.73 95.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.413 1.07 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.1 111.34 33.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.416 1.745 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.14 -5.6 62.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.566 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.65 -178.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 116.33 4.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.635 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -90.07 28.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 107.992 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 49.9 t -171.56 107.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 108.285 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.649 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -140.73 -167.92 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.13 68.09 35.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.04 -91.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -104.25 27.36 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -50.92 -14.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 pp20? -50.39 -18.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.47 1.106 . . . . 0.0 110.205 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.609 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -34.23 -66.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 14.07 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.23 -79.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.7 OUTLIER -48.09 -25.47 1.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.909 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.5 mtt180 -90.25 172.57 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.2 t -105.15 19.2 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.48 86.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.57 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.72 -35.46 31.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 61.52 6.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.0 143.57 28.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 179.919 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.92 -5.99 17.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -124.93 13.67 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.669 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -37.84 124.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.735 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -165.03 154.64 11.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.988 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.93 51.39 2.75 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.551 1.816 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 178.41 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 -179.945 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.735 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -94.91 -45.21 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 79.4 m -55.79 -56.1 24.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 3.0 m120 -61.48 -9.01 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.6 t-20 -98.84 -31.53 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.603 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.98 -22.97 31.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.98 16.75 4.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 15.1 m -120.61 157.49 29.43 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' CG ' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -103.12 126.94 50.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 179.913 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 43.4 t80 -90.87 118.18 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.0 t70 -82.48 -82.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 88.75 -16.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -58.91 -59.71 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.4 ' HB ' ' HB ' ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -108.05 125.41 32.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -14.27 21.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.507 1.793 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.75 65.31 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.873 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.43 169.1 7.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.873 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.414 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -87.01 29.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.669 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 7.9 t -169.65 99.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.327 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -142.41 -171.07 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.617 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.5 70.08 12.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.728 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -97.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.707 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -93.87 32.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.617 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.1 mm100 -52.31 -22.53 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.489 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -38.92 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -34.13 -67.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.405 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.5 mt-10 -137.12 25.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 2.9 t -105.63 -49.82 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.489 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 2.4 t -78.74 -39.81 35.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 41.0 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 39.1 t0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.4 mtt180 -48.57 179.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 ' O ' HG12 ' 2' ' 19' ' ' VAL . 22.9 t -113.77 20.02 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.44 89.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -53.74 -33.69 56.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.77 55.12 30.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.15 136.24 29.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -4.6 15.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -124.41 21.36 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.602 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.3 p -43.45 123.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.723 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -165.63 152.52 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.06 48.27 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.21 -23.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.723 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -92.6 -44.85 8.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.0 m -61.43 -58.75 6.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.47 -8.45 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.7 t30 -101.31 -28.08 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.36 -25.99 21.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.88 22.12 2.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.6 m -120.77 164.87 15.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 6.3 t -112.08 128.04 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.236 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 58.5 t80 -95.29 120.76 36.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 20.6 t70 -88.06 -82.62 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.55 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 88.27 -15.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -60.52 -53.11 61.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -116.02 125.22 28.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -14.76 21.01 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.554 1.818 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.99 -9.27 68.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.918 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.51 170.16 5.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.918 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.07 115.21 4.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.602 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.28 28.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 108.029 179.987 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.584 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.4 t -169.64 100.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.685 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -138.0 -169.27 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.32 68.29 48.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.667 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -98.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.407 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.3 OUTLIER -95.5 35.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -47.14 -22.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -36.67 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.48 -65.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -134.99 11.9 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -87.06 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 1.4 t -66.3 -51.61 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.509 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.0 mtt180 -90.82 173.91 7.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 7.0 t -106.17 19.28 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.76 87.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -51.16 -35.71 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.23 63.2 4.48 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -91.84 141.15 25.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.43 0.724 . . . . 0.0 110.992 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.06 -7.26 18.95 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -123.58 17.35 9.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 109.575 -179.987 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.577 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.03 128.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.669 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.74 152.47 8.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.471 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 51.18 2.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.73 -20.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.669 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -96.2 -42.77 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.577 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 50.6 m -58.57 -51.24 70.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 72.5 m-20 -67.55 -4.25 11.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -105.12 -27.51 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.634 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.7 -23.95 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.196 -179.942 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.84 23.76 3.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.3 m -120.53 -178.77 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.37 125.87 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 58.9 t80 -90.55 121.9 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 23.3 t70 -90.57 -81.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.79 -15.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -59.66 -54.36 47.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -115.07 124.75 29.81 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.66 21.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.88 -9.82 65.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.565 1.165 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.34 169.72 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 113.12 3.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.433 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.82 29.65 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.8 t -170.54 98.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.27 -170.61 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.63 69.39 16.35 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.919 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.619 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.0 -100.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -90.38 34.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -54.57 -18.89 4.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.79 -25.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.916 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.01 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.39 1.057 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.487 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.6 mt-10 -128.82 27.91 5.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.3 t -108.12 -56.83 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -72.4 -29.39 63.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.658 ' O ' HG21 ' 2' ' 19' ' ' VAL . 3.4 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.2 mtt180 -92.81 178.73 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.671 ' O ' HG12 ' 2' ' 19' ' ' VAL . 96.8 t -108.4 19.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 33.03 84.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.529 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -47.42 -37.61 11.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.19 59.46 7.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.633 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.7 OUTLIER -92.3 146.0 31.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -8.57 20.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -119.45 10.19 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.582 180.0 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -37.87 121.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.607 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.85 157.97 10.71 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.89 48.46 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.87 -16.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.607 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -99.41 -44.6 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.7 m -55.76 -55.64 29.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.366 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -63.06 -9.89 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -92.16 -35.6 13.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.6 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.66 -26.2 32.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.49 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.75 25.25 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 65.7 m -117.18 168.26 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.0 t -111.99 131.3 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.256 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.3 t80 -94.56 118.9 32.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.38 -83.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.09 -21.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -65.66 -43.53 89.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.232 -179.924 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.491 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.4 OUTLIER -120.0 109.71 37.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.51 61.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.576 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.53 -177.54 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.492 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.49 29.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 179.933 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.767 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.6 t -169.39 112.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -149.74 -169.91 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.642 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.02 70.75 61.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.609 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.03 -98.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.408 1.741 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -92.67 31.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.6 mm100 -44.42 -23.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.8 pt-20 -37.96 -27.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.98 -59.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.64 17.53 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -93.27 -69.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 108.315 -179.956 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.414 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 5.8 t -61.65 -41.28 97.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.987 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 9.5 mtt180 -90.38 175.74 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.568 ' O ' HG12 ' 1' ' 19' ' ' VAL . 46.1 t -104.49 19.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.54 85.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.573 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.65 -35.71 14.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.893 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.49 61.69 5.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.99 141.07 26.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -125.57 18.35 8.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.593 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -41.11 127.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.741 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -163.44 152.2 11.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.993 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.98 2.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.987 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.28 -22.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.741 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -94.89 -44.4 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 37.6 m -55.43 -52.2 64.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -67.56 -3.36 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t-20 -105.53 -26.4 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.414 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.32 -25.55 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.91 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.8 23.49 2.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.971 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -121.04 -177.33 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.573 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -127.79 126.73 42.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 108.33 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 40.6 t80 -89.08 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.573 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.31 -82.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 86.23 -23.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.004 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 5.4 mtp-105 -64.4 -43.3 94.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.406 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.1 mt -120.92 106.49 39.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.8 -6.2 63.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.598 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.2 -176.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.368 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.598 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.91 118.92 5.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.96 29.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 107.982 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.4 t -168.49 103.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.9 -170.25 3.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.664 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.82 69.51 17.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.909 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.48 28.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.664 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.6 mm-40 -54.16 -22.89 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.506 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.6 OUTLIER -39.29 -28.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.05 -67.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -130.42 25.12 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 5.2 t -104.32 -55.61 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.506 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 11.6 t -78.55 -38.2 40.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 79.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 55.3 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.627 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.5 mtt180 -93.25 176.07 6.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 11.6 t -108.72 18.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 34.97 87.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.88 -31.99 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 38.5 58.54 1.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.157 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.74 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.0 OUTLIER -90.37 153.65 46.36 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.473 0.749 . . . . 0.0 110.873 -179.874 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -9.71 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -117.63 6.87 12.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.869 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -38.28 113.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.716 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -163.67 163.79 15.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.92 47.53 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -21.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.716 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.2 OUTLIER -94.42 -43.24 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' 2' ' 26' ' ' VAL . 85.2 m -54.18 -56.28 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.02 -12.07 23.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -83.49 -38.82 21.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.584 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.35 -27.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.88 26.31 2.57 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 35.7 m -110.31 176.37 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.5 t -120.8 126.5 50.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 89.8 t80 -94.19 116.27 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.1 t70 -84.96 -82.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 89.94 -18.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -60.09 -40.69 90.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' 2' ' 45' ' ' VAL . 1.3 mt -120.28 119.58 30.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.43 19.71 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.93 -7.62 65.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.897 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.45 170.2 5.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.584 0.814 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.897 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 111.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -85.87 32.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.869 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.9 t -171.15 108.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -150.53 -171.13 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.583 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.21 73.33 27.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -109.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 1.037 ' O ' HD22 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.16 32.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.393 179.908 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.595 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 27.6 mm-40 -42.29 -24.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.531 ' HG2' HG21 ' 2' ' 58' ' ' THR . 0.4 OUTLIER -33.76 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.64 -62.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -140.28 16.27 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.62 -62.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.99 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.531 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 0.8 OUTLIER -67.79 -47.7 68.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.951 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.436 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 1.7 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.642 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.1 mtt180 -53.18 177.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.3 t -111.6 19.31 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.34 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.1 t -49.04 -34.22 13.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.89 59.81 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' OH ' ' CE2' ' 2' ' 23' ' ' TYR . 0.6 OUTLIER -92.76 142.89 26.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.0 -7.89 19.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -121.77 19.88 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.535 179.98 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.668 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.6 p -46.92 128.05 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.557 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.57 151.94 8.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.613 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 53.28 3.28 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.41 1.742 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.37 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.557 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.7 OUTLIER -99.71 -45.73 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.906 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 14.9 m -54.92 -52.24 63.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -67.33 -4.09 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -103.82 -28.7 11.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.6 -30.34 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.15 25.58 1.18 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 -179.907 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.592 ' O ' ' NE2' ' 1' ' 53' ' ' GLN . 59.5 m -120.53 -177.69 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 7.2 t -126.86 126.92 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -81.09 129.52 34.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.584 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 9.5 t70 -71.13 -99.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.4 t 92.09 -9.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.938 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.401 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 8.6 mtp180 -91.34 -54.78 3.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.934 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.558 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.9 OUTLIER -117.83 122.21 30.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.16 21.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.31 -7.34 69.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.886 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.38 170.96 5.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 117.28 4.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.09 30.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.668 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 8.9 t -168.26 97.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.658 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.79 -174.09 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.56 71.01 47.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -91.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.4 15.85 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' 1' ' 36' ' ' CYS . 92.5 mm-40 -49.3 -23.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.584 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.87 -25.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -56.7 -85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.51 3.17 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 19.9 t -99.28 -73.37 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.584 HG22 ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -45.73 -39.65 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.425 179.978 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.589 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.2 mtt180 -91.55 173.72 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -104.49 19.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER 32.8 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 4.2 t -47.46 -35.41 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.57 57.69 3.21 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.642 ' O ' HG12 ' 2' ' 26' ' ' VAL . 3.1 m-30 -91.63 146.71 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -122.88 11.26 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.671 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -41.32 124.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.764 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -164.85 154.21 11.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 47.34 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.81 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 24.1 tttt -178.95 -20.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.764 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mt-10 -94.82 -44.64 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.218 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.1 m -55.2 -56.19 22.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.05 -13.14 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -94.34 -28.04 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -86.32 -27.2 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.516 ' HA3' ' HZ1' ' 1' ' 50' ' ' LYS . . . 120.96 24.15 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.6 m -118.44 177.5 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.553 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.2 t -123.99 127.85 48.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.4 t80 -92.87 123.65 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.8 t70 -91.02 -82.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 88.62 -15.88 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -60.0 -51.27 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 179.957 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.36 125.14 28.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.913 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -15.53 20.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.25 -10.29 68.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.885 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.91 169.64 6.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.885 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.406 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -86.31 29.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.038 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.754 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 34.7 t -171.52 101.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.711 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.86 -168.13 2.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.92 66.92 30.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.711 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.95 -88.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.895 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -103.88 27.42 7.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -48.4 -17.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.406 1.066 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.524 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.55 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.11 -64.83 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.78 15.71 6.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 33.2 t -92.56 -79.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.524 HG22 ' O ' ' 2' ' 54' ' ' GLU . 9.8 t -42.83 -38.84 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.943 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.7 mtt180 -92.98 179.88 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.388 179.929 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.78 20.15 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.1 OUTLIER 34.46 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.597 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -56.8 -33.72 66.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.98 54.79 21.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.632 ' CE2' ' SG ' ' 1' ' 36' ' ' CYS . 0.1 OUTLIER -90.31 140.39 27.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -12.87 21.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.8 10.01 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.608 HG12 ' O ' ' 1' ' 23' ' ' TYR . 2.0 p -41.24 128.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.631 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -169.21 153.69 5.56 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.157 . . . . 0.0 110.421 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' O ' ' HB2' ' 1' ' 29' ' ' LYS . 18.4 Cg_endo -74.94 59.59 5.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 166.2 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.631 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -93.92 -45.7 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 22.8 m -53.6 -50.71 65.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 3.6 m120 -75.47 8.29 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 44.0 t30 -106.72 -40.54 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.93 -37.58 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 139.98 23.41 0.3 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.632 ' SG ' ' CE2' ' 1' ' 23' ' ' TYR . 65.9 m -118.91 165.27 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.582 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 19.9 t -111.77 126.15 54.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.373 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' 1' ' 27' ' ' THR . 36.3 t80 -92.69 119.51 32.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' 1' ' 41' ' ' ARG . 49.4 t0 -79.86 -82.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 84.05 -31.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -63.3 -40.26 96.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.501 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -120.31 104.08 43.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.909 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -5.82 17.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.49 -5.38 67.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.583 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.64 -176.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.44 28.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.019 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.4 t -167.72 103.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.674 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.99 -168.79 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.972 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.603 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -126.07 68.91 65.5 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 109.23 -179.963 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.95 -99.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.76 37.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.7 mm100 -56.49 -23.51 39.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.426 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -43.01 -23.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.46 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -43.69 -65.07 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.81 17.94 11.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 36.6 t -98.16 -86.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.469 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 7.9 t -42.61 -26.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.7 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 17.7 mtt180 -90.16 174.64 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.6 t -101.06 20.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.46 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 8.8 t -49.37 -35.7 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.1 45.57 95.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.491 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -82.52 135.34 46.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.05 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.61 24.06 9.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.67 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.6 OUTLIER -43.65 119.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.72 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -163.42 149.6 9.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 50.2 2.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -176.69 -25.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.72 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -92.69 -44.34 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.3 m -62.57 -57.58 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.6 m120 -61.62 -6.84 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 23.5 t30 -105.39 -25.68 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.97 -28.09 19.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.529 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.26 20.51 1.99 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 96.9 m -120.46 168.03 11.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.8 t -116.88 128.17 54.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.082 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 55.6 t80 -91.06 123.5 34.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.555 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 1.2 t70 -86.7 -85.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.1 t 90.4 -20.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . 0.433 ' N ' ' OD2' ' 2' ' 39' ' ' ASP . 4.5 mtp180 -61.88 -48.07 82.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.571 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.9 OUTLIER -116.14 112.48 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.913 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -7.03 18.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.03 0.18 60.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.571 HG13 ' CG2' ' 2' ' 42' ' ' ILE . 1.0 OUTLIER -120.95 -178.1 0.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.67 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.6 28.37 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.977 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 30.7 t -170.31 103.97 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.667 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.29 -168.7 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.72 68.93 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.924 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.632 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.02 -97.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.455 1.766 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -95.34 38.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -52.52 -18.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.888 ' O ' HG22 ' 2' ' 58' ' ' THR . 3.5 pt-20 -41.94 -25.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.01 -85.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -111.74 17.39 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -95.59 -68.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 108.364 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.888 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.9 t -43.58 -25.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' 2' ' 57' ' ' CYS . 12.2 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 43.1 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.594 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 8.3 mtt180 -93.19 175.87 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.1 t -106.87 16.52 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 38.6 86.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.628 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 1.9 t -46.76 -38.74 10.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.5 56.79 6.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.166 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.647 ' O ' HG12 ' 1' ' 26' ' ' VAL . 1.7 m-85 -91.63 148.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.14 13.43 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 179.968 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -44.6 125.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.666 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.7 155.18 9.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.364 179.948 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.597 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -74.94 52.08 2.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.62 -20.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.666 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -96.66 -44.49 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.8 m -56.21 -53.17 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -67.03 -2.45 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 35.7 t-20 -105.27 -28.92 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -85.19 -26.89 26.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.75 26.46 1.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 72.0 m -119.85 176.66 5.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -121.54 123.4 41.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 37.8 t80 -93.96 119.08 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 33.3 t70 -85.68 -79.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.6 -14.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -66.17 -42.21 89.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 mt -122.38 109.25 33.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.14 -7.52 62.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.609 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -121.33 -175.94 0.38 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.609 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 117.21 4.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.453 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -92.98 28.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 107.988 179.978 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.729 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.9 t -170.48 108.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.616 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -145.51 -168.61 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 -179.978 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -124.11 70.27 51.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.616 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -100.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.72 33.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 27.8 mm100 -52.36 -19.41 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 179.953 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.548 ' HB2' HG21 ' 1' ' 58' ' ' THR . 7.3 pt-20 -40.92 -26.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.45 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . 0.468 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER -127.73 24.2 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.933 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.2 t -105.11 -53.03 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.548 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 2.5 t -80.65 -37.71 30.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.6 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.642 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 21.4 mtt180 -87.96 175.52 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 110.335 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.557 ' O ' HG12 ' 2' ' 19' ' ' VAL . 44.9 t -105.92 19.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.63 85.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.08 -36.13 28.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.353 179.969 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.69 58.45 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.669 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.99 141.93 26.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.737 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.0 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.77 10.5 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.562 -179.957 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.721 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.76 122.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.626 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.86 159.17 9.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.95 47.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER 179.56 -15.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.626 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -99.17 -46.89 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 86.9 m -54.26 -56.79 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.31 -11.84 11.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -89.74 -35.85 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.669 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.59 -25.44 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.967 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.544 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.59 25.82 2.77 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.141 . . . . 0.0 111.067 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 59.8 m -120.46 161.79 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -108.01 125.81 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.334 179.968 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 36.4 t80 -87.68 120.76 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.567 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.07 -83.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.67 -22.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -64.81 -44.03 91.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.457 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.9 OUTLIER -118.45 109.67 40.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -6.86 18.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.45 -4.55 65.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.46 -177.14 0.45 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 120.22 5.97 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.586 1.835 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.09 26.69 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 -179.993 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.721 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t -168.98 105.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.654 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.04 -170.97 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.051 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.618 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.69 39.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.639 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.98 -91.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.785 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -100.84 38.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.618 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 pp20? -39.19 -26.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.18 -61.92 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -136.76 14.69 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.381 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -90.58 -80.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 -179.975 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' 1' ' 54' ' ' GLU . 6.0 t -46.9 -32.32 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.442 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.056 179.948 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.4 mtt180 -91.18 177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 19' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.73 20.04 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.73 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 21' ' ' CYS . . . . . 0.571 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.3 t -52.15 -34.35 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.383 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 64.58 2.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 1' 1 ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.25 140.59 24.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.995 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -2.05 12.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -130.47 19.4 5.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.666 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 1' 1 ' 26' ' ' VAL . . . . . 0.575 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.29 128.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.366 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 27' ' ' THR . . . . . 0.708 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -163.34 152.2 12.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.432 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 51.81 2.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 29' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.71 -21.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 30' ' ' GLU . . . . . 0.708 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -95.46 -43.46 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 31' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 40.6 m -56.36 -50.7 70.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 32' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.3 m120 -69.05 -3.43 13.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 28.1 t30 -104.42 -27.35 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 34' ' ' ARG . . . . . 0.641 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.49 -26.17 28.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.99 23.55 2.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 36.8 m -120.93 -177.54 3.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 6.6 t -126.91 126.4 43.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 55.7 t80 -89.56 123.1 33.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.6 t70 -91.3 -82.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 40' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 1.0 OUTLIER 88.9 -15.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -58.53 -60.53 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 1' 1 ' 42' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' 1' ' 43' ' ' PRO . 0.2 OUTLIER -110.45 126.54 28.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.921 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -13.09 21.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.9 -8.85 64.64 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 1' 1 ' 45' ' ' VAL . . . . . 0.877 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.01 169.5 6.7 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 46' ' ' PRO . . . . . 0.877 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 113.02 3.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 47' ' ' TRP . . . . . 0.422 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.41 28.65 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 108.027 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 48' ' ' CYS . . . . . 0.571 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 11.6 t -169.79 98.92 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.84 -169.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 50' ' ' LYS . . . . . 0.606 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.55 68.5 21.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 51' ' ' PRO . . . . . 0.654 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.94 -99.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 52' ' ' LEU . . . . . 0.893 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -88.11 32.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.2 mm100 -55.86 -21.19 18.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 54' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -44.8 -23.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.0 110.376 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 55' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.83 -64.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.52 22.43 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -102.24 -55.06 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.36 179.912 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 1' 1 ' 58' ' ' THR . . . . . 0.577 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 4.0 t -64.51 -41.45 96.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 1' 1 ' 59' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.8 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 2' 2 ' 17' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.8 t0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 2' 2 ' 18' ' ' ARG . . . . . 0.649 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 14.3 mtt180 -47.06 175.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 19' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.0 t -108.16 19.43 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.0 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.3 t -41.49 -40.18 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.26 47.72 85.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.563 1.164 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -91.96 132.68 32.08 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.553 0.796 . . . . 0.0 110.98 179.993 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -4.1 14.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.39 13.07 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.615 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 26' ' ' VAL . . . . . 0.605 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -40.53 128.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.188 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 27' ' ' THR . . . . . 0.604 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -166.34 154.31 9.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 28' ' ' PRO . . . . . 0.584 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.01 47.09 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.0 tttt -179.26 -15.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 30' ' ' GLU . . . . . 0.604 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -100.64 -44.5 5.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 110.28 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.9 m -56.92 -56.09 26.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.145 . . . . 0.0 108.24 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 32' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.4 m120 -61.44 -13.43 20.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 2' 2 ' 34' ' ' ARG . . . . . 0.577 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -88.13 -24.94 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.43 21.9 3.89 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 5.6 m -121.49 174.81 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 37' ' ' CYS . . . . . 0.542 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.49 133.09 56.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 38' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.0 t80 -88.85 124.56 34.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 39' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -68.44 -98.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 40' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.7 t 93.31 -11.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 41' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 3.5 mtp-105 -91.12 -59.07 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 42' ' ' ILE . . . . . 0.517 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER -109.25 118.32 51.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -11.63 21.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.77 -8.65 65.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 2' 2 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -105.88 170.84 5.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.01 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 47' ' ' TRP . . . . . 0.523 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.32 30.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 108.036 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 1.8 t -169.35 95.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.11 -175.36 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 50' ' ' LYS . . . . . 0.513 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -116.95 70.64 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 51' ' ' PRO . . . . . 0.653 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.97 -105.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 52' ' ' LEU . . . . . 0.454 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -97.69 37.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 20.4 mm100 -43.11 -24.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 54' ' ' GLU . . . . . 0.606 ' O ' HG22 ' 2' ' 58' ' ' THR . 4.8 pt-20 -40.15 -26.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 55' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.99 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -118.8 22.07 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.63 -72.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.308 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' 2' 2 ' 58' ' ' THR . . . . . 0.606 HG22 ' O ' ' 2' ' 54' ' ' GLU . 12.6 t -47.28 -29.29 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.935 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.823 ' O ' HG13 ' 1' ' 4' ' ' VAL . 2.9 mp0 -90.72 82.54 5.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.991 ' HA ' HD11 ' 1' ' 6' ' ' LEU . 8.0 m-85 -29.96 86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.823 HG13 ' O ' ' 1' ' 2' ' ' GLU . 32.7 m -136.41 -47.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.249 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.434 ' N ' HG23 ' 1' ' 4' ' ' VAL . . . -68.33 -4.41 37.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.991 HD11 ' HA ' ' 1' ' 3' ' ' TYR . 0.2 OUTLIER -125.19 -1.5 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.226 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' 1' ' 8' ' ' ALA . 43.0 t -108.48 -145.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.982 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -40.93 142.23 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 89.93 -34.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.674 HE22 ' HA ' ' 1' ' 51' ' ' PRO . 0.6 OUTLIER -62.89 -43.86 97.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.686 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 21.3 t -63.41 -6.03 4.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -107.13 21.01 18.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.59 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -40.61 166.43 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.715 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.94 2.85 6.13 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.756 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' 1' ' 14' ' ' PRO . . . 85.47 52.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.469 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 172.34 45.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.59 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 50.9 t0 -155.03 11.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' NH1' HG13 ' 1' ' 45' ' ' VAL . 5.8 mtt180 -92.13 -178.44 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.6 t -116.28 19.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.32 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.61 -34.54 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.252 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.63 56.31 25.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.0 OUTLIER -91.75 141.16 25.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.941 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -128.72 44.41 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -62.76 122.12 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.68 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.55 154.29 6.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.476 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.06 55.25 3.92 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER -178.36 -26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.68 ' H ' HG22 ' 1' ' 27' ' ' THR . 3.1 mt-10 -95.35 -47.63 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.7 -55.92 19.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -61.99 -6.79 3.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.3 t30 -106.0 -26.93 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.5 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.83 -30.48 22.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.54 22.73 1.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 75.4 m -121.7 175.63 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.6 t -122.3 126.44 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.5 t80 -90.76 122.91 33.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.1 t70 -91.12 -83.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 89.14 -16.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.75 -58.03 9.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -114.75 129.79 24.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.4 Cg_endo -75.04 -14.79 20.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.08 -8.11 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.58 169.11 7.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.01 114.01 3.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.469 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.54 28.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.638 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 38.0 t -170.81 103.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.339 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.659 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.14 -170.14 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.661 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.08 68.9 27.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.686 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -97.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.746 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.876 ' C ' HD23 ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.37 31.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.661 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.1 mm-40 -54.06 -23.99 15.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' 1' ' 58' ' ' THR . 3.5 tt0 -39.2 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.34 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.25 25.34 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' HG2' ' 2' ' 50' ' ' LYS . 4.5 t -104.98 -64.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.465 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.7 t -55.92 -46.54 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -88.49 49.59 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' 2' ' 3' ' ' TYR . 25.7 p90 -91.04 71.18 6.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.436 HG13 ' N ' ' 2' ' 5' ' ' GLY . 6.9 p -125.85 -50.56 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.536 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -69.99 -1.22 31.83 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.817 HD12 ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -134.37 16.45 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 0.792 . . . . 0.0 109.215 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 81.1 p -106.89 -161.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.953 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -66.32 85.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 166.47 -27.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.536 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 50.1 tt0 -60.24 -31.92 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.732 ' HB2' HD22 ' 2' ' 52' ' ' LEU . 49.5 t -71.96 -2.24 17.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 108.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -120.25 7.41 10.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.943 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.67 167.18 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 27.84 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.961 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 49.9 72.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 164.86 41.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.236 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.517 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 32.1 t0 -161.81 13.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.658 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.5 mtt180 -90.86 176.46 6.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.5 t -105.72 18.55 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.606 1.191 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 86.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.9 t -42.39 -40.11 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.59 50.54 66.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.672 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -92.82 135.17 26.46 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 25.19 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -52.48 129.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.623 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.18 155.47 6.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.96 47.91 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -177.95 -17.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.623 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -100.26 -46.88 5.13 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.556 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.3 m -57.85 -56.24 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 108.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.3 m120 -59.65 -13.86 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -97.83 -25.2 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -86.63 -24.44 25.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.502 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.83 22.77 3.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.128 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 5.3 m -121.03 177.15 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.2 t -123.1 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 108.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 55.5 t80 -92.8 119.4 32.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.48 -83.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.83 -24.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -64.81 -43.39 93.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.961 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -120.77 106.04 40.0 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -2.67 12.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.808 . . . . 0.0 111.068 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.71 -6.08 64.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.838 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -121.54 -176.12 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 118.65 5.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.16 28.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 107.994 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.637 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 33.8 t -168.89 101.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.671 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -170.91 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.504 ' CE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -116.78 67.87 4.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.671 ' HB2' ' N ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -105.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.953 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -94.3 40.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.524 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 30.8 mm100 -46.91 -22.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.809 ' HG2' HG21 ' 2' ' 58' ' ' THR . 1.2 mt-10 -37.77 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.4 -70.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.5 mp0 -135.61 19.6 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.88 -63.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.809 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 15.2 t -57.04 -33.07 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -86.95 -129.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.666 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 8.3 m-85 -88.64 81.15 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.532 HG23 ' N ' ' 1' ' 5' ' ' GLY . 19.2 m -125.66 -57.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.532 ' N ' HG23 ' 1' ' 4' ' ' VAL . . . -68.61 2.46 7.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.732 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -145.85 26.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -103.42 163.67 12.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.71 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -67.69 -5.37 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -9.22 36.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.504 ' HB2' ' O ' ' 1' ' 7' ' ' SER . 0.0 OUTLIER -64.99 -41.6 95.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.637 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 51.5 t -74.74 0.84 13.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 108.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.6 10.69 24.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.957 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -50.13 165.41 0.32 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.957 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 29.05 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.997 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 44.8 57.67 4.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 31.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -157.87 16.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.6 mtt180 -87.73 173.13 9.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 8.8 t -101.7 19.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.84 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.2 OUTLIER -49.92 -35.89 25.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.243 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.85 60.51 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.73 146.24 33.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.28 19.86 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -127.72 29.32 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.7 p -53.61 127.4 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.609 HG21 ' OE1' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.66 155.21 6.87 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.582 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 55.04 3.84 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.97 -21.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.609 ' OE1' HG21 ' 1' ' 27' ' ' THR . 1.7 mp0 -99.04 -47.6 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 11.1 m -56.11 -52.4 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 108.274 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -66.39 -3.78 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 42.5 t-20 -105.55 -27.91 11.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.573 ' CD ' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.35 -22.69 30.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.16 25.51 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 26.6 m -120.62 -178.01 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -129.41 122.87 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 69.9 t80 -87.8 122.02 30.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 20.2 t70 -91.11 -83.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.61 -17.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.971 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -60.68 -43.97 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -121.07 112.95 33.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -6.99 18.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.585 1.834 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.67 -4.9 63.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.997 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.4 m -120.34 -178.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.631 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.9 116.69 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.25 27.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.676 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 42.6 t -171.0 110.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.3 OUTLIER -148.88 -170.35 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.32 71.74 12.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.71 HD22 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.41 32.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.595 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.0 mm-40 -53.63 -20.33 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.244 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.545 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.99 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 24.11 7.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 1.8 t -106.03 -51.1 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.545 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.4 t -85.23 -37.81 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 67.87 6.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.641 ' CD2' ' O ' ' 2' ' 3' ' ' TYR . 37.5 p90 -90.85 82.22 5.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.409 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -133.24 -57.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.43 ' O ' ' CD ' ' 2' ' 10' ' ' GLN . . . -68.68 1.87 9.02 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.681 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -145.36 25.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.33 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 27.8 p -106.17 174.7 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.946 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 1.003 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -66.2 87.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER 162.86 -24.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.436 ' OE1' ' HA ' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -58.77 -36.06 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.629 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 42.2 t -68.07 -7.57 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -105.16 9.9 34.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.78 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.5 OUTLIER -40.81 160.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.207 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.601 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -74.93 29.5 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.827 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.993 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 52.34 70.99 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.499 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.86 41.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.78 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 11.0 t70 -159.46 11.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.9 mtt180 -90.79 178.76 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -110.5 21.57 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.1 t0 32.52 87.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 7.5 t -49.32 -36.95 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.67 53.11 48.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.58 139.38 29.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -10.47 21.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -122.86 30.42 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.62 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.9 OUTLIER -50.25 120.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.61 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.71 153.96 6.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.457 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 51.31 2.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 7.6 tttt -174.83 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.61 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -98.36 -45.56 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.234 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.1 m -63.29 -55.69 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.34 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -63.75 -5.3 3.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.9 t30 -104.87 -29.12 10.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' 2' ' 31' ' ' CYS . 0.0 OUTLIER -86.77 -31.93 20.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 128.61 25.11 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.095 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 90.3 m -122.48 168.59 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.1 t -115.21 129.6 56.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.507 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 47.4 t80 -94.77 119.47 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.538 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.27 -83.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.538 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.2 t 86.1 -24.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -65.43 -43.22 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.993 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.22 106.77 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.42 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.09 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.512 1.796 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.04 -6.69 66.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.873 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.32 -175.64 0.36 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 121.4 6.52 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.62 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.97 27.21 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 107.979 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 25.8 t -168.52 101.48 0.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.392 1.057 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.43 -168.77 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.44 68.44 39.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.629 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.97 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 1.003 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -95.06 35.53 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 36.7 mm-40 -53.84 -19.3 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.4 OUTLIER -44.85 -19.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.15 -63.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -144.69 16.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.37 -55.13 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 108.34 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 2.7 t -64.9 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.05 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.556 ' HA ' ' CE1' ' 1' ' 3' ' ' TYR . 21.0 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -74.46 -9.78 58.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' 1' ' 3' ' ' TYR . 27.0 p90 -91.3 102.66 15.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.452 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -108.72 -50.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.482 ' C ' HD12 ' 1' ' 6' ' ' LEU . . . -73.1 10.98 5.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 1.101 HD23 HG23 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -139.0 14.95 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.789 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.421 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 85.0 p -106.63 175.01 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.72 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -62.45 83.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.517 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 7.5 t-20 173.86 -33.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.424 ' O ' HG22 ' 1' ' 13' ' ' VAL . 0.8 OUTLIER -60.5 -33.4 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.649 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 40.7 t -65.7 -6.54 11.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -100.21 20.52 14.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.54 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -41.8 167.76 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.69 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 2.85 6.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.817 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 83.78 45.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.401 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 175.99 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 22.2 t0 -149.66 12.2 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.595 ' NH1' HG23 ' 1' ' 45' ' ' VAL . 3.2 mtt180 -91.06 179.9 5.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -111.69 19.13 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 34.96 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -51.92 -34.22 40.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.1 57.66 18.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -91.01 144.2 29.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -12.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.08 45.02 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.743 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -61.45 120.99 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.539 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -170.17 154.18 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.444 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 58.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.584 1.834 . . . . 0.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -178.99 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.528 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -97.61 -46.43 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.18 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.35 -54.67 29.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -64.06 -4.77 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 24.2 t30 -107.39 -27.42 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.49 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.55 -30.76 23.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.606 1.191 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.78 23.59 1.17 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -121.47 176.26 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.551 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -123.29 123.4 40.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 108.361 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 58.4 t80 -90.1 120.79 31.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.8 t70 -86.99 -82.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.567 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 86.33 -14.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -64.4 -45.38 87.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.817 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -121.9 116.88 29.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.04 19.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.64 -2.95 64.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.717 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -119.65 178.41 1.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 115.44 4.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.466 1.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.454 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -88.5 27.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.089 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.743 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 48.6 t -170.98 107.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.397 1.061 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.39 -169.0 2.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.48 69.34 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.627 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -98.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.375 1.724 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.72 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -92.38 32.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.229 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.1 mm-40 -55.22 -22.67 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.2 OUTLIER -40.37 -26.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.71 -72.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 109.215 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.32 24.88 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.69 -58.07 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 108.319 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.5 t -66.81 -42.34 86.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -89.74 74.37 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.05 79.12 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 81.3 t -114.96 -50.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.898 ' O ' HD13 ' 2' ' 6' ' ' LEU . . . -70.82 1.61 22.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.898 HD13 ' O ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -132.26 11.98 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.256 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.456 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.4 OUTLIER -108.6 -169.41 1.49 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.664 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -59.93 84.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' 2' ' 7' ' ' SER . 7.9 t-20 171.01 -31.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.511 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 53.4 tt0 -61.18 -28.93 69.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.716 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 50.6 t -73.72 -0.92 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.323 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -116.69 4.64 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.973 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.37 166.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.973 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 27.73 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.0 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 44.91 57.65 4.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.1 OUTLIER -172.04 32.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.257 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -160.45 18.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.0 mtt180 -87.03 176.11 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -105.84 19.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 29.98 87.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -47.33 -33.98 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.337 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.44 49.37 77.2 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.543 1.152 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.428 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -86.87 133.93 38.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.734 . . . . 0.0 110.961 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.86 25.34 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.735 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.2 p -45.75 121.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -168.5 152.89 5.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.498 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -74.98 49.12 2.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -175.82 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -97.36 -45.53 6.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 17.7 m -62.33 -56.15 21.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.53 -6.95 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.9 t30 -100.63 -30.98 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -85.95 -29.82 23.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 126.12 24.27 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 63.4 m -121.48 166.68 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 1.8 t -114.96 130.4 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.72 ' CE2' HG22 ' 2' ' 26' ' ' VAL . 9.0 t80 -99.37 118.33 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.1 t70 -81.58 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER 87.15 -14.57 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -68.14 -43.23 78.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.3 OUTLIER -120.06 111.76 35.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.31 -2.56 60.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 1.0 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -119.75 179.93 0.8 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 115.09 4.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.735 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.63 28.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 108.02 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 23.2 t -169.53 102.08 0.33 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.544 1.152 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.63 -170.95 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.411 ' HG3' ' HG3' ' 2' ' 53' ' ' GLN . 2.9 mppt? -120.22 69.08 14.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.659 ' HB2' ' N ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.01 -104.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.716 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -95.7 42.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' 2' ' 35' ' ' GLY . 21.4 mm100 -52.1 -18.96 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.53 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.96 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.95 -65.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.1 23.61 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -102.64 -54.91 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.283 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 1.101 HG23 HD23 ' 1' ' 6' ' ' LEU . 7.2 t -66.0 -41.87 90.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' 1' ' 3' ' ' TYR . 1.2 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.34 65.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.631 ' HD1' HD23 ' 1' ' 6' ' ' LEU . 9.2 m-85 -69.8 90.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.57 HG23 ' N ' ' 1' ' 5' ' ' GLY . 18.5 m -101.85 -54.93 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 1.019 ' O ' HD13 ' 1' ' 6' ' ' LEU . . . -73.21 9.4 7.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 1.019 HD13 ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -138.05 11.36 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.478 ' N ' ' HB3' ' 1' ' 10' ' ' GLN . 0.3 OUTLIER -77.83 -168.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.158 . . . . 0.0 109.993 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.817 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -69.4 -23.63 63.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.7 OUTLIER -89.88 -2.64 58.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.65 ' HG3' ' N ' ' 1' ' 11' ' ' CYS . 0.0 OUTLIER -66.19 -37.73 86.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.655 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 15.1 t -68.75 -4.95 17.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -97.61 17.11 18.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.97 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -50.86 164.9 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.377 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.97 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.96 29.38 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 42.73 55.65 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.44 30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -158.55 17.92 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 20.5 mtt180 -86.79 173.4 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.529 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.9 t -103.59 19.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.0 OUTLIER 30.81 90.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.28 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.33 -34.89 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.46 55.31 30.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.524 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -89.07 142.35 30.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.471 0.748 . . . . 0.0 110.952 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.81 37.63 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.573 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.1 p -56.08 118.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.459 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.21 153.25 7.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 59.03 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.7 OUTLIER 178.69 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -97.16 -46.26 6.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.0 m -63.82 -57.1 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -61.55 -7.1 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.1 t30 -106.09 -25.64 11.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.536 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.15 -26.04 22.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.231 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.81 21.92 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 81.8 m -120.03 173.91 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -121.27 122.65 40.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 108.355 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 74.0 t80 -90.46 121.64 32.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.187 . . . . 0.0 110.943 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 14.6 t70 -90.09 -84.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 89.16 -18.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.925 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -60.44 -44.96 95.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.864 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -120.76 113.58 33.1 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.21 18.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.53 -4.21 64.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.99 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -120.01 -179.27 0.68 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.596 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 117.66 4.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.581 1.832 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.517 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.24 27.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.704 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 44.3 t -170.98 107.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -142.27 -169.84 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.5 69.19 22.52 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.6 Cg_endo -74.92 -98.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.817 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.53 35.13 1.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.586 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 46.5 mm-40 -57.58 -18.89 22.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.436 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.51 -23.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -47.72 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.29 26.75 9.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 45.5 t -105.58 -74.43 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 1.5 t -68.6 -30.12 68.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' 1' ' 58' ' ' THR . 20.4 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.27 68.35 8.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.49 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 17.0 m-85 -90.87 81.7 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.52 -51.1 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' 2' ' 10' ' ' GLN . . . -71.97 5.43 13.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.583 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -140.35 14.66 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 2.5 t -107.92 176.92 4.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.762 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -64.14 90.71 0.07 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 5.9 t30 162.7 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.424 ' CD ' ' HA ' ' 2' ' 51' ' ' PRO . 1.0 OUTLIER -61.8 -32.23 72.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.664 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 43.5 t -63.96 -10.52 21.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -99.47 14.23 30.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.558 HG13 ' HD2' ' 2' ' 14' ' ' PRO . 0.8 OUTLIER -38.29 159.23 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.558 ' HD2' HG13 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 30.71 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.9 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 49.94 65.56 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.245 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.99 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 11.1 t70 -160.8 14.74 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 14.7 mtt180 -90.58 176.27 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.54 HG12 ' O ' ' 2' ' 19' ' ' VAL . 39.1 t -107.43 19.11 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 32.18 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -52.64 -33.59 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.33 56.35 23.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -89.81 141.87 28.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.96 -12.38 21.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -123.1 32.72 5.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.525 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -51.25 118.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.578 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -170.04 155.09 5.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttt -173.06 -24.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.578 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -98.99 -44.76 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.386 1.054 . . . . 0.0 110.253 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 13.3 m -65.02 -53.59 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -65.69 -4.99 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 21.9 t30 -105.59 -27.9 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.475 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.99 -31.19 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.495 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 127.54 24.49 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.9 m -121.59 168.61 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 5.6 t -115.02 125.67 53.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 70.4 t80 -92.58 121.22 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.5 t70 -88.6 -83.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.11 -14.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -64.56 -45.73 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.9 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.41 113.94 31.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.92 16.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.44 -4.57 62.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.637 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.75 -179.25 0.69 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.556 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.14 27.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 107.997 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.688 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 46.0 t -169.89 104.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.688 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.87 -167.91 2.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.539 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.19 62.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.67 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -95.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.068 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.762 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -99.66 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 21.5 mm100 -49.75 -19.08 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.669 ' HA ' HG22 ' 2' ' 58' ' ' THR . 23.0 mt-10 -41.98 -24.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.13 -69.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -138.54 22.49 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.09 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.669 HG22 ' HA ' ' 2' ' 54' ' ' GLU . 10.1 t -61.31 -38.32 86.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.521 ' HA ' HD12 ' 1' ' 6' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.79 67.36 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -90.57 75.81 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.05 -51.52 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.31 -2.09 31.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.8 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -133.87 10.2 3.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.455 0.738 . . . . 0.0 109.243 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 80.6 p -61.74 -171.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.744 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -71.22 -9.9 58.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.519 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -94.91 -11.31 28.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.561 ' CD ' ' HA ' ' 1' ' 6' ' ' LEU . 1.5 pt20 -59.93 -42.3 93.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.359 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.69 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 12.3 t -61.77 -9.56 6.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.15 . . . . 0.0 108.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -100.73 17.67 21.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.888 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -47.03 166.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.888 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 27.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.0 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 47.87 64.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.66 36.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.409 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 7.6 t70 -160.65 16.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.5 mtt180 -89.52 170.67 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.583 HG12 ' O ' ' 1' ' 19' ' ' VAL . 51.3 t -101.18 19.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 31.03 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.48 -35.65 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.82 34.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.404 1.065 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -89.32 141.36 28.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -11.79 21.52 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -123.68 34.3 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -52.88 118.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.92 154.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 57.18 4.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.0 ttpt -179.42 -25.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -97.66 -45.39 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 6.6 m -64.44 -55.66 19.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.3 m120 -63.52 -5.55 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 21.5 t30 -106.01 -27.9 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.66 -30.19 23.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.45 24.04 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 85.0 m -121.59 175.15 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.533 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.9 t -121.18 123.53 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.9 t80 -91.0 121.77 33.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.8 t70 -90.03 -84.52 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.54 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -60.8 -45.22 95.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.873 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -120.7 111.85 34.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.63 -5.09 60.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.0 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.2 m -120.61 -177.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.606 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 117.07 4.78 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.6 27.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.686 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.8 t -170.79 106.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.36 -169.62 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.3 OUTLIER -121.87 69.5 26.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.633 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.1 Cg_endo -75.03 -100.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.744 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -92.46 35.02 1.02 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.563 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 42.1 mm-40 -54.56 -18.45 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.427 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 1.9 pt-20 -42.82 -25.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.87 -70.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.1 mm-40 -129.08 25.72 5.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 3.6 t -105.28 -58.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.45 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.1 t -63.69 -42.91 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.4 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . 0.42 ' HG2' ' CE1' ' 2' ' 3' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.88 69.06 10.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.772 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 4.0 m-85 -90.38 75.94 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.7 -51.31 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.373 1.045 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.569 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -70.84 -0.12 31.84 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.79 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -130.03 10.53 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.468 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.1 OUTLIER -106.88 -164.92 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.021 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.723 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -59.14 83.75 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 167.73 -30.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.569 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 50.5 tt0 -64.54 -31.44 72.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.693 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 45.0 t -64.12 -7.12 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.331 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.09 20.42 18.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.542 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -42.19 167.66 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.699 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 3.46 5.59 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.947 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 83.91 49.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.51 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 173.77 42.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.542 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 44.4 t0 -150.47 11.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.1 mtt180 -91.97 178.38 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.0 t -108.14 18.97 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.63 84.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.568 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -47.47 -36.01 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.256 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.59 58.21 13.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.629 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.73 139.99 26.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.8 t-80 -126.21 13.58 7.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.621 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.79 126.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.624 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -167.81 153.14 6.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.97 47.61 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.43 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 3.1 tttp -178.54 -17.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.624 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -98.67 -45.08 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 58.9 m -55.34 -55.03 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -61.27 -12.78 14.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.402 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 19.7 t-20 -92.84 -31.46 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.629 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.6 -25.95 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.23 24.81 2.87 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.9 m -121.2 169.6 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.502 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.3 t -113.32 133.18 55.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 108.217 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 37.9 t80 -96.79 117.34 30.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.566 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -76.07 -83.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 86.62 -23.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -65.09 -44.41 88.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.947 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.66 106.78 39.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.443 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.5 Cg_endo -74.97 -2.03 11.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.23 -5.96 65.16 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.89 -176.53 0.42 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 118.63 5.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.498 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.59 30.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.667 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 8.7 t -166.75 106.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.412 1.07 . . . . 0.0 108.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -145.4 -169.53 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.33 69.9 52.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.671 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.97 -94.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -99.32 37.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.591 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.5 mm100 -51.75 -19.51 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.5 pt-20 -42.54 -23.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.08 -68.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.88 21.3 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.2 OUTLIER -99.31 -54.83 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.264 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.446 HG22 ' O ' ' 2' ' 54' ' ' GLU . 7.0 t -60.29 -37.27 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 1' ' 50' ' ' LYS . 17.3 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' 1' ' 3' ' ' TYR . 2.6 mt-10 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 1.3 mp0 -68.07 68.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' 1' ' 1' ' ' GLU . 2.7 m-85 -52.66 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 2.4 m -104.09 -47.98 10.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.929 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -72.42 2.22 31.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.929 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -130.69 7.65 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 0.801 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.475 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 0.4 OUTLIER -106.98 -171.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -55.76 87.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 164.84 -29.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.6 ' O ' HG13 ' 1' ' 13' ' ' VAL . 54.1 tt0 -66.96 -31.71 72.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.717 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 47.8 t -63.42 -5.82 4.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.07 20.03 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.717 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.1 OUTLIER -44.41 168.0 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.703 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 4.34 4.84 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.82 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 84.83 56.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.501 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 169.32 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.717 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 35.6 t70 -151.36 11.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.63 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 5.5 mtt180 -92.04 170.86 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.3 t -104.16 19.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.71 88.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.52 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -50.56 -37.35 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.15 60.75 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.46 145.64 31.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 111.043 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -9.31 20.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -125.19 23.62 7.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.607 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -47.92 125.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.529 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.22 155.33 8.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.578 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 54.75 3.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.26 -20.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.529 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -100.14 -44.56 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.0 m -56.6 -51.77 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.42 -2.32 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 49.3 t-20 -105.14 -27.46 11.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.585 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.5 -23.88 27.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.45 26.69 2.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 39.5 m -119.88 -177.34 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.547 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.7 t -128.88 124.71 35.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 78.5 t80 -88.28 121.42 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.0 t70 -89.76 -84.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.57 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.0 -15.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.935 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -61.32 -46.47 90.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.82 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.54 115.69 32.33 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.526 1.142 . . . . 0.0 109.338 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -6.68 18.32 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -4.72 61.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.641 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -118.63 -179.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.544 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.02 117.21 4.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.93 28.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.568 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.5 t -171.74 111.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.645 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -149.11 -170.56 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.08 14.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.645 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.92 -97.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.717 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.7 OUTLIER -92.18 31.55 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.9 mm100 -53.92 -20.92 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.91 -26.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.67 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 3.5 mt-10 -124.38 24.62 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.509 ' HA ' ' HZ3' ' 2' ' 50' ' ' LYS . 3.2 t -105.52 -54.33 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.458 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.8 t -82.31 -29.93 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.77 59.56 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -90.81 83.99 5.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.45 -54.29 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.509 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -70.1 -1.5 34.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.457 ' N ' HD23 ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -130.65 11.75 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 0.726 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.93 -156.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.912 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -66.37 87.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 164.11 -29.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 51.8 tt0 -64.87 -31.77 73.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 41.4 t -70.69 -0.9 9.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -120.62 9.86 10.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.901 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.46 168.04 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.901 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.6 Cg_endo -74.85 27.96 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.975 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 49.75 67.21 0.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.33 38.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.51 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 21.6 t70 -160.58 15.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 11.7 mtt180 -90.95 171.6 9.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.2 t -98.2 14.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 34.51 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -51.37 -36.84 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 108.302 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.25 59.63 8.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.647 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.18 139.9 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.61 0.829 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.7 OUTLIER -125.6 13.37 8.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.64 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.97 126.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.61 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.75 155.23 6.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.43 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.498 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.99 47.87 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER -179.09 -15.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.61 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mt-10 -100.98 -45.64 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.4 m -55.68 -55.25 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.9 -12.43 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -93.46 -30.18 15.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.647 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.89 -25.15 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.334 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.99 24.2 3.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.6 m -121.71 171.96 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.0 t -117.15 129.2 55.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 108.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 67.8 t80 -93.41 121.13 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 21.9 t70 -88.49 -83.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 89.06 -17.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -62.1 -43.07 99.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.963 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -122.09 109.31 33.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.434 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -4.96 16.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -6.68 64.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.975 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.0 -176.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.03 118.28 5.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 29.47 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.028 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.622 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 12.5 t -168.79 105.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.639 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.53 -167.77 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -120.74 69.77 17.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.639 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -97.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -95.2 34.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.9 mm100 -49.84 -20.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.4 pt-20 -37.5 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.3 -59.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.37 15.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.5 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.71 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.428 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 13.9 t -54.08 -45.74 71.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.507 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.574 ' HB3' ' CE1' ' 1' ' 3' ' ' TYR . 1.6 tp10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.42 66.66 6.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.63 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 22.3 m-30 -85.2 74.31 10.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.419 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 46.4 t -125.92 -56.44 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.584 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -68.77 3.66 6.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.803 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -146.77 24.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.793 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.458 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 1.6 t -105.05 155.82 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.754 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -59.23 85.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 175.3 -32.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' 1' ' 5' ' ' GLY . 41.7 tt0 -59.5 -33.43 71.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 41.1 t -64.41 -8.31 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -104.61 13.6 31.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.891 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -39.98 162.33 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.891 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 29.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.898 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 49.47 72.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 163.67 51.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.448 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 37.0 t0 -166.58 -25.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.632 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 14.4 mtt180 -49.89 -179.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 HG12 ' O ' ' 1' ' 19' ' ' VAL . 21.7 t -114.97 19.75 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 33.38 87.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.1 -35.84 17.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.148 . . . . 0.0 108.315 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.45 60.69 7.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.642 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.38 140.42 24.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -6.75 18.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -122.04 13.17 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.581 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.579 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -36.83 128.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.694 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.05 153.27 7.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.405 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 51.94 2.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.23 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.694 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -96.41 -44.55 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.2 m -55.99 -50.93 69.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -69.56 -1.63 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.5 t-20 -105.3 -29.05 10.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.642 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.22 -24.73 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.43 25.37 2.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 33.8 m -119.93 179.79 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.3 t -125.29 124.0 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 61.4 t80 -89.39 122.03 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.3 t70 -90.34 -83.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -16.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -58.56 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.5 OUTLIER -119.67 124.25 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.83 21.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.97 -10.07 65.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.168 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.916 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.11 170.26 5.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.422 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.48 29.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.563 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 13.9 t -170.23 103.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -142.87 -171.8 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.611 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 70.71 24.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -98.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.83 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -93.55 34.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.611 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 47.7 mm-40 -55.05 -23.32 19.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -40.6 -26.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.98 -71.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.44 27.41 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.9 t -106.18 -57.91 1.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -71.78 -49.25 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -90.08 74.64 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.471 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 1.7 m-85 -89.96 77.86 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 95.1 t -118.31 -47.92 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.844 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -72.04 3.11 22.76 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.844 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -131.85 9.31 4.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.26 -162.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.739 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -63.34 84.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 169.09 -31.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 55.6 tt0 -62.95 -31.36 72.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.767 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 39.7 t -64.45 -7.78 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 108.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -106.83 11.14 30.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.7 OUTLIER -40.33 160.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.5 Cg_endo -74.99 29.82 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.911 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 51.48 67.8 0.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.2 OUTLIER 168.46 38.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.693 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 11.5 t70 -159.47 13.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.564 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.7 mtt180 -89.97 -179.29 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.516 HG12 ' O ' ' 2' ' 19' ' ' VAL . 26.1 t -112.49 20.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.88 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.2 -34.45 57.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 108.294 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.95 56.45 23.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.412 ' CE1' ' NE ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.72 142.14 28.98 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.05 -11.36 21.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -123.42 30.29 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.564 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -49.31 116.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.59 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.91 154.79 8.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.527 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 50.27 2.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.3 OUTLIER -172.8 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.59 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -99.17 -45.19 5.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 110.208 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 15.1 m -62.81 -55.94 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.342 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.81 -6.66 6.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -101.87 -29.42 11.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.448 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -31.65 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.517 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 128.5 24.04 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 75.6 m -120.54 166.77 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.486 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 4.1 t -113.82 128.64 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.527 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 45.6 t80 -93.82 120.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.581 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -82.7 -83.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.581 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 85.5 -22.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -65.41 -42.61 92.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.911 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -120.88 106.87 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.24 -6.37 64.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.809 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.63 -175.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.601 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 118.91 5.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.539 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.13 27.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.013 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.69 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 28.9 t -168.23 104.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.679 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.28 -168.16 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.575 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.86 68.51 62.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.65 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.98 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.767 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -98.28 38.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.575 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.1 mm100 -47.22 -20.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.5 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -37.38 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.31 -70.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -131.69 17.95 4.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.07 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.55 -77.27 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.5 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.0 t -40.35 -41.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -90.03 -128.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -91.95 62.47 4.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.29 -54.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.985 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -68.47 0.61 12.06 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.985 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -140.65 26.22 2.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 0.712 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 58.3 p -102.38 165.9 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.723 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -69.22 -5.34 22.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.63 -11.45 34.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.428 ' HG3' ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -65.29 -39.95 93.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.689 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 51.2 t -74.56 0.45 14.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 108.254 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -106.28 9.25 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.839 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.5 OUTLIER -40.07 159.65 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.839 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.1 Cg_endo -75.09 30.33 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.038 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 48.45 73.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 163.07 51.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.469 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 10.4 t70 -167.15 -25.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.0 mtt180 -47.48 176.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 5.0 t -110.63 20.95 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.57 91.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.23 -34.89 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 108.332 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.21 55.24 31.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.089 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.38 140.77 27.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.03 -6.48 18.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.19 43.35 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.624 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.7 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.4 p -61.15 120.45 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.487 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.04 153.04 7.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.59 4.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER 179.35 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -96.6 -46.11 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.203 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 2.3 m -63.59 -56.29 17.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -62.4 -7.11 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.7 t30 -105.24 -26.31 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.53 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -86.7 -25.69 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.515 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.14 22.51 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 78.7 m -119.44 177.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -124.63 124.68 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.257 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 57.3 t80 -90.37 119.91 31.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.13 -83.9 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 85.63 -22.96 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.95 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -65.87 -43.15 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 1.038 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.1 mt -121.34 107.74 36.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -4.77 15.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.49 -6.92 67.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.882 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -120.84 -175.13 0.33 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.623 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 122.98 7.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.501 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -93.97 25.48 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.7 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.6 t -167.7 104.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.643 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -141.04 -170.07 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.648 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.66 69.59 45.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.623 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -97.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -91.99 32.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.648 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.3 mm100 -52.66 -19.89 2.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.4 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.31 23.97 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.33 -54.81 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.57 ' O ' ' NE2' ' 2' ' 53' ' ' GLN . 0.9 OUTLIER -90.11 -13.05 36.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.468 ' O ' ' NE2' ' 2' ' 53' ' ' GLN . 5.8 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -89.88 68.96 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -90.98 89.61 7.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.499 HG13 ' H ' ' 2' ' 5' ' ' GLY . 1.4 p -134.51 -56.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.499 ' H ' HG13 ' 2' ' 4' ' ' VAL . . . -67.35 2.28 5.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.147 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.517 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -150.42 23.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 0.805 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.449 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -107.89 149.26 28.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.997 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.734 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -60.65 83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.3 OUTLIER 172.15 -30.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.474 ' OE1' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -59.8 -32.27 70.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.638 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 48.8 t -70.2 -7.3 40.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.317 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -101.8 8.36 41.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.9 OUTLIER -38.49 157.47 0.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' 2' ' 13' ' ' VAL . 18.6 Cg_endo -75.01 30.01 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.058 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 50.63 65.67 1.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 167.37 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.523 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 11.8 t70 -158.88 13.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.3 mtt180 -91.5 -178.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.9 t -111.34 19.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 32.62 87.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.62 -33.28 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 108.283 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.55 61.97 1.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.606 ' CE2' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.91 148.02 37.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.96 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -5.74 17.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.24 15.51 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -42.77 121.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.752 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -163.95 158.51 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.415 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.97 48.16 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.426 1.751 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -179.88 -22.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.752 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -93.49 -43.36 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.8 m -55.43 -57.54 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.09 -15.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.517 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 6.9 t30 -85.07 -36.37 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.606 ' CD ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -80.82 -24.56 38.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.6 19.16 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.2 m -107.31 178.39 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -124.63 125.25 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 56.6 t80 -88.83 122.62 32.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -87.14 -82.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 84.21 -23.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 110.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -62.78 -41.43 99.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 1.058 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.41 107.51 34.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.65 -7.68 64.59 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.834 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -121.1 -175.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.99 117.5 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 111.036 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.1 28.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.703 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 19.5 t -171.27 108.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.0 -169.16 2.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 1.042 ' HB2' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.55 67.96 29.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.98 -96.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.734 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -102.2 41.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 1.042 HE21 ' HB2' ' 2' ' 50' ' ' LYS . 0.6 OUTLIER -41.87 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -43.12 -23.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.07 -62.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -149.12 19.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -69.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.452 HG23 HD12 ' 1' ' 6' ' ' LEU . 1.1 t -51.65 -43.32 62.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 16.7 mt-10 -74.57 73.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.703 ' HA ' HD11 ' 1' ' 6' ' ' LEU . 17.7 m-85 -56.29 82.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.525 HG23 ' N ' ' 1' ' 5' ' ' GLY . 21.1 m -128.08 -52.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.525 ' N ' HG23 ' 1' ' 4' ' ' VAL . . . -69.6 -1.43 30.19 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' 1' ' 3' ' ' TYR . 0.2 OUTLIER -127.84 -0.81 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -110.51 179.04 4.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.728 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -38.28 134.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.728 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 15.6 t-20 105.39 -32.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.678 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.9 OUTLIER -57.09 -40.85 77.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 42.1 t -59.75 -10.43 3.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 108.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -98.29 17.35 18.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.919 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -48.3 166.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.919 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 28.45 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.028 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 47.07 66.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.88 37.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -161.47 16.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.591 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 13.8 mtt180 -90.15 168.51 11.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -96.3 17.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.84 88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -51.81 -36.51 48.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.88 60.77 4.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.47 145.56 31.58 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.06 21.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -118.28 10.8 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.586 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.3 p -36.05 126.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.683 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.27 154.75 9.85 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 53.43 3.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.1 -22.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.683 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -95.45 -43.48 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.2 m -56.03 -53.3 58.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.3 m120 -66.17 -5.64 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.1 t-20 -99.81 -30.85 11.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.615 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.88 -22.96 33.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.42 25.88 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 24.2 m -118.51 -179.38 3.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 2.6 t -126.72 121.76 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 108.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 69.2 t80 -87.96 121.15 30.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.8 t70 -89.82 -84.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.613 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 89.69 -16.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -62.35 -42.54 99.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.939 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.6 109.54 34.39 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.0 Cg_endo -75.02 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.38 -5.96 61.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.028 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.93 -176.55 0.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 116.31 4.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 29.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.8 t -171.25 110.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.591 ' CB ' ' HB3' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.25 -169.66 3.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.19 71.82 17.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.678 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.2 Cg_endo -75.01 -102.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -91.69 34.86 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.552 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.3 mm-40 -52.19 -19.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.1 OUTLIER -40.71 -26.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.1 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.426 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 6.5 mt-10 -124.41 25.63 7.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.28 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.5 t -103.95 -64.18 1.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.452 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -61.17 -28.75 69.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' 2' ' 4' ' ' VAL . 1.5 tp10 -88.42 -132.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.689 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 7.2 p90 -66.69 62.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 70.8 t -122.67 -50.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.584 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -71.63 1.24 30.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -130.71 8.04 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.478 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 1.2 p -106.95 -160.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.938 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.759 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -59.37 83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 168.52 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.217 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.584 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 47.4 tt0 -65.52 -30.81 71.62 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.831 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 44.1 t -67.99 -3.24 9.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.291 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -115.42 12.11 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.908 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.57 166.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.908 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -75.02 27.49 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.884 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 50.22 69.92 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 169.86 39.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.514 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 19.0 t70 -160.75 13.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 10.0 mtt180 -91.36 172.63 8.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -100.24 16.37 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 34.05 83.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.546 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.69 -34.52 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.76 61.53 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.088 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.616 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.58 144.25 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 0.814 . . . . 0.0 110.941 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.09 19.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.9 m80 -120.9 10.76 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.632 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.773 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -35.81 123.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.1 154.35 8.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.11 2.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.404 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 14.7 tttt -178.09 -18.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.589 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -100.06 -44.67 5.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.4 m -55.78 -55.27 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.01 -12.57 19.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.09 -28.14 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.616 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.78 -25.15 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 118.26 24.27 3.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 47.9 m -121.87 170.22 10.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.513 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -116.17 128.57 55.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 51.0 t80 -96.24 118.32 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.2 t70 -84.77 -80.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.85 -15.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -66.81 -40.66 88.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.884 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.2 mt -121.89 108.18 35.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -3.9 14.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.22 -7.19 62.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.841 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.08 -177.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.51 28.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 107.986 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.773 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.7 t -169.68 107.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.66 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -146.6 -168.32 2.99 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 70.57 21.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.66 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -95.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.831 . . . . 0.0 111.04 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.831 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -99.38 40.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.547 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.5 mm-40 -56.37 -13.27 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -51.6 -17.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -33.82 -67.81 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' 2' ' 59' ' ' PHE . 34.9 mt-10 -138.76 11.4 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -89.34 -61.17 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.409 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.472 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 4.9 t -61.34 -25.66 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.05 -123.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.44 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 8.6 p90 -91.6 66.32 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.419 HG13 ' N ' ' 1' ' 5' ' ' GLY . 11.9 p -131.17 -47.84 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.419 ' N ' HG13 ' 1' ' 4' ' ' VAL . . . -69.49 -1.65 30.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.514 ' C ' HD22 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -136.17 17.89 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.326 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.494 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 8.4 t -106.83 153.47 22.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -65.05 71.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -167.71 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 1.2 tt0 -58.31 -34.56 70.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.776 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 41.4 t -65.02 -7.62 12.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -109.37 16.42 22.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.862 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.01 165.23 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.862 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.02 28.32 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.811 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 50.48 70.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.09 51.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.52 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 20.6 t70 -165.54 -25.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.1 mtt180 -46.09 174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.663 HG12 ' O ' ' 1' ' 19' ' ' VAL . 98.0 t -110.28 19.04 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.13 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -55.77 -34.53 65.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.356 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.0 55.77 28.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.554 1.159 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.61 142.24 27.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 -9.95 21.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -127.92 40.52 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.1 p -58.07 118.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.514 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -169.35 154.61 5.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.444 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 57.92 4.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.1 ttpm? -179.2 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.514 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -98.18 -46.49 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -64.32 -55.14 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -63.87 -5.16 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.2 t30 -106.7 -27.49 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.358 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.532 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.86 -30.34 22.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 128.24 22.91 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 75.3 m -120.76 174.57 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.508 ' HB2' ' CD ' ' 1' ' 51' ' ' PRO . 3.1 t -120.9 125.58 47.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.41 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.8 t80 -91.12 120.72 32.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.8 t70 -87.21 -84.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.553 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.63 -16.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -62.06 -46.62 88.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.811 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -120.74 116.86 31.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.22 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.56 20.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.97 -3.64 65.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.66 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -119.02 -179.74 0.73 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.548 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 119.63 5.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.769 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.474 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -92.3 25.22 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.724 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 44.7 t -169.22 110.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 108.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.636 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -145.86 -169.97 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.58 70.38 46.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.634 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.776 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.3 OUTLIER -92.38 34.63 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.4 mm100 -50.36 -25.67 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.535 ' HA ' ' H ' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -35.33 -30.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.26 -64.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.57 8.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' 1' ' 53' ' ' GLN . 0.8 OUTLIER -92.79 -90.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 108.256 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.535 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 1.2 t -43.88 -27.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.471 ' C ' ' O ' ' 1' ' 58' ' ' THR . 32.0 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.29 72.66 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.252 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.597 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 6.3 m-85 -90.59 90.32 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -121.31 -62.34 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.436 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -69.21 7.85 3.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' 2' ' 3' ' ' TYR . 0.4 OUTLIER -154.65 24.72 0.45 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 0.2 OUTLIER -84.24 166.13 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' 2' ' 52' ' ' LEU . . . -64.71 -6.35 7.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -15.17 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -59.32 -39.58 83.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.982 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 14.9 t -74.17 0.34 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.75 14.3 18.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.988 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -51.17 164.6 0.45 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.988 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 29.1 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.519 1.8 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.051 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 44.17 59.95 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.57 33.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -161.66 20.4 0.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 17.4 mtt180 -89.71 175.51 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.57 HG12 ' O ' ' 2' ' 19' ' ' VAL . 47.0 t -105.29 19.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 32.61 90.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 5.1 t -51.14 -36.72 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.355 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.59 84.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.409 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -83.56 138.54 41.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -8.43 20.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.576 1.83 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.67 24.52 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.569 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.683 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.8 OUTLIER -43.71 116.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.604 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.33 153.46 10.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 51.66 2.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.8 tttt -175.44 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.604 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -98.27 -44.07 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.3 m -61.89 -56.5 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 108.343 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.74 -5.32 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.2 t30 -103.57 -27.44 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.509 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -88.23 -31.04 19.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.76 22.48 1.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.0 m -120.16 172.88 7.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.6 OUTLIER -120.49 126.38 50.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 108.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.642 ' HE2' HG22 ' 2' ' 26' ' ' VAL . 30.7 t80 -91.78 123.78 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.5 t70 -88.47 -83.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 87.88 -15.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -68.86 -41.87 77.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.828 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.73 111.81 34.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.28 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.57 -3.52 62.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 1.051 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -119.67 -179.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 117.16 4.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.683 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.89 26.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.615 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 33.0 t -171.38 102.67 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 108.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -136.54 -169.42 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 67.18 31.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.699 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.93 -91.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.449 1.762 . . . . 0.0 111.05 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.982 HD12 ' HB2' ' 2' ' 11' ' ' CYS . 0.0 OUTLIER -105.36 26.14 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -48.97 -20.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER -38.63 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -36.98 -72.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 10.5 pt-20 -116.7 18.65 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -102.9 -54.94 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 108.278 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.479 ' HB ' ' HA ' ' 2' ' 54' ' ' GLU . 0.7 OUTLIER -76.47 -41.45 47.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.411 1.069 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.537 ' O ' HG23 ' 1' ' 4' ' ' VAL . 0.3 OUTLIER -88.59 77.07 8.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 110.35 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -51.66 83.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.537 HG23 ' O ' ' 1' ' 2' ' ' GLU . 26.1 t -131.12 -55.77 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.34 -1.68 29.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.501 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -134.03 13.78 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.241 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.47 -152.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.083 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.86 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -67.3 82.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 166.76 -29.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.508 ' O ' ' HB ' ' 1' ' 13' ' ' VAL . 58.5 tt0 -61.58 -35.95 79.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.642 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 31.5 t -65.69 -4.8 6.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 108.311 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.426 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.92 11.28 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.645 1.215 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.917 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.45 166.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.917 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.09 28.22 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.03 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 45.74 62.54 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.28 35.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -161.16 16.86 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.1 mtt180 -87.93 -176.47 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.0 t -113.24 22.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.543 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 29.2 87.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -49.61 -33.6 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 56.7 19.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -89.77 140.41 27.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 111.04 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.99 -6.04 17.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 37.46 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.625 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -57.46 121.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.722 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -164.64 153.01 10.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.435 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 55.01 3.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.4 tttt 178.82 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.722 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -93.88 -46.4 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.16 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -60.06 -7.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.5 t30 -106.12 -25.95 11.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.55 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -26.24 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 124.55 21.14 2.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 92.6 m -120.36 171.09 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.558 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.4 t -118.66 127.74 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 31.9 t80 -89.69 124.72 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 42.3 t0 -81.18 -86.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.8 t 87.84 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 11.0 mtp85 -65.26 -40.97 94.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 1.03 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -120.82 102.91 43.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.376 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.09 -3.8 14.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.24 -5.09 64.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.102 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.991 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.44 -175.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 119.98 5.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.492 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -92.57 29.9 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.625 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 34.6 t -168.5 102.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 108.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.685 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -135.72 -169.61 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.634 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.87 67.69 42.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.98 -98.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.816 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.867 ' C ' HD23 ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.04 33.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.4 mm-40 -58.1 -26.01 62.06 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -41.44 -25.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.16 -64.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -134.5 24.56 3.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -103.72 -55.17 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 108.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.583 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.3 t -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' 1' ' 58' ' ' THR . 18.8 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.86 -118.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -90.9 75.52 6.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 t -130.59 -52.53 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.945 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -69.55 1.05 15.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.945 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -139.2 14.16 2.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.452 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 53.1 p -106.84 151.95 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.752 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -57.68 87.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 172.77 -31.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.575 ' NE2' ' CA ' ' 2' ' 5' ' ' GLY . 39.1 tt0 -60.05 -31.2 69.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.732 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 33.7 t -65.89 -8.31 21.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -103.29 14.88 30.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.824 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.5 OUTLIER -45.57 164.84 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.824 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -75.06 28.2 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.003 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 49.97 65.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.44 ' O ' ' CE ' ' 2' ' 16' ' ' LYS . 0.0 OUTLIER 174.35 37.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.581 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 16.7 t70 -158.3 14.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.1 mtt180 -89.76 177.27 6.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.4 t -108.84 20.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.9 89.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.4 OUTLIER -52.5 -32.87 42.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 54.88 31.01 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.62 139.88 29.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.779 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -9.41 20.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -123.13 28.03 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.683 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -47.45 119.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.593 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -169.57 154.65 5.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.473 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 51.38 2.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 5.6 tttt -174.36 -23.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.593 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -98.29 -45.76 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 26.6 m -62.79 -56.2 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 108.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -63.48 -5.84 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 18.4 t30 -103.99 -28.86 11.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.52 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -87.13 -29.99 21.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.5 1.48 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.0 m -121.18 168.8 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.1 t -114.72 129.03 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 108.371 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.473 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.5 t80 -93.83 119.22 32.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -81.16 -83.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.579 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.77 -23.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -42.14 93.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 1.003 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.2 mt -120.54 106.57 39.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 -5.89 63.01 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.849 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.29 -175.76 0.37 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.6 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.08 118.76 5.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.593 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.38 27.68 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.052 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.683 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 35.1 t -168.63 104.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -168.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.94 69.16 57.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.658 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.5 Cg_endo -74.96 -94.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.752 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -98.79 40.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.2 mm100 -55.47 -17.13 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.732 ' HA ' HG22 ' 2' ' 58' ' ' THR . 23.6 mt-10 -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -38.31 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -133.68 26.97 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.02 -66.43 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.732 HG22 ' HA ' ' 2' ' 54' ' ' GLU . 10.2 t -60.29 -38.5 83.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' HE22 ' 1' ' 10' ' ' GLN . 1.1 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.7 mp0 -87.18 76.82 9.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.8 ' CG ' HD23 ' 1' ' 6' ' ' LEU . 1.0 OUTLIER -43.38 91.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 111.052 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 1.2 m -103.23 -47.3 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.991 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -69.48 -1.84 31.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.991 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -119.63 -7.4 10.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.464 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 35.0 p -111.22 -138.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.587 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -40.57 142.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.223 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 87.25 -32.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.64 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.5 OUTLIER -64.9 -40.7 95.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.652 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 22.5 t -68.35 -4.36 14.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -112.5 13.94 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.849 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -42.38 166.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.849 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.1 Cg_endo -75.09 28.74 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 51.6 70.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 167.84 39.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.673 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 18.1 t0 -158.66 11.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 10.3 mtt180 -90.49 174.31 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -109.31 21.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.9 89.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -51.41 -33.4 30.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.306 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.99 57.78 15.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.448 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 143.56 29.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.83 20.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -130.36 44.68 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.706 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -61.71 120.91 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.538 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.96 153.84 5.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.04 58.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.8 OUTLIER 179.38 -26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.538 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -97.25 -46.31 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.4 m -64.04 -56.33 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -62.08 -7.47 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.8 t30 -105.99 -25.15 12.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -87.91 -25.65 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.504 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.34 21.74 2.45 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.617 1.198 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 77.8 m -120.52 175.24 6.09 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.563 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.54 124.95 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 108.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.9 t80 -91.04 122.46 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.5 t70 -90.31 -83.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.13 -16.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.17 -56.36 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.645 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -113.4 126.57 27.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.47 20.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.557 1.819 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.72 -9.14 66.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.568 1.168 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.99 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -106.8 169.51 6.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.901 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.489 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.03 28.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.002 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.706 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 37.9 t -170.99 103.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 108.252 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -139.42 -169.34 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.35 68.65 29.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.652 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.13 -97.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.407 1.74 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.802 ' C ' HD23 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -92.85 32.04 1.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.2 mm-40 -56.19 -22.4 28.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.437 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.93 -25.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.17 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.2 OUTLIER -124.94 26.01 7.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.27 -57.81 2.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 108.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -67.34 -38.66 85.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -88.31 -127.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.799 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 5.3 m-85 -86.56 81.16 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.18 -52.59 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.572 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -69.84 -0.77 28.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -134.87 14.35 3.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.45 -160.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.923 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -64.85 86.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 6.7 t30 165.07 -28.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.572 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 52.3 tt0 -64.57 -31.3 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.4 t -71.12 -1.83 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -119.75 8.59 11.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.03 167.84 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.99 27.12 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.797 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.928 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 51.82 68.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 173.48 37.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.578 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 8.9 t70 -158.16 13.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -91.48 171.93 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 16.6 t -101.06 18.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.46 85.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.532 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -50.94 -36.95 41.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 60.74 6.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.44 141.11 25.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 111.022 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -125.71 13.75 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.653 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.01 125.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.585 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.88 155.21 7.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.02 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -178.35 -15.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.585 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.9 OUTLIER -101.27 -45.35 5.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.1 m -56.1 -54.77 41.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -63.06 -11.41 19.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.466 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 32.7 t-20 -95.59 -27.36 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.75 -26.05 23.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.494 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.12 25.43 2.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 53.8 m -122.41 175.69 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -120.62 128.29 52.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 108.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 70.8 t80 -92.78 120.74 33.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -89.46 -82.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 86.98 -15.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.032 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -43.1 94.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.925 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.51 111.16 33.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -6.64 18.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.74 -6.18 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.928 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.4 m -121.14 -178.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.225 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.637 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.5 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.442 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.61 27.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 20.2 t -169.39 105.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.661 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -144.11 -168.43 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -119.85 69.53 13.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.661 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.02 -96.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.923 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -95.51 38.14 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.587 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 30.1 mm100 -55.09 -17.68 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' HB2' HG21 ' 2' ' 58' ' ' THR . 11.4 pt-20 -47.35 -21.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.44 -64.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.36 22.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.4 OUTLIER -101.84 -53.02 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.514 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.0 t -62.84 -41.75 99.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' 1' ' 3' ' ' TYR . 1.8 mp0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -86.18 45.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' 1' ' 1' ' ' GLU . 0.1 OUTLIER -90.26 64.98 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 66.6 t -126.46 -50.24 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.997 ' O ' HD13 ' 1' ' 6' ' ' LEU . . . -71.23 2.33 20.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.412 1.07 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.997 HD13 ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -136.95 9.54 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.488 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 1.4 t -114.28 -155.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.643 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -44.8 143.2 1.49 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.617 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.6 OUTLIER 92.47 -32.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.637 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.9 OUTLIER -58.93 -36.31 74.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.66 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 41.1 t -69.67 -1.61 9.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 108.365 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -106.44 9.94 31.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.928 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.23 166.54 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.928 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.06 28.5 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.006 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 43.86 55.19 5.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.79 30.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -157.65 18.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.5 mtt180 -87.68 173.11 9.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 HG12 ' O ' ' 1' ' 19' ' ' VAL . 33.6 t -101.7 19.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 29.51 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -48.26 -34.77 10.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 108.361 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.86 61.21 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.39 142.92 27.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 111.075 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.82 18.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.86 18.21 8.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.576 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.17 126.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.636 HG23 ' HD2' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER -164.78 154.3 11.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' 1' ' 27' ' ' THR . 18.1 Cg_endo -75.03 52.45 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.51 -21.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.599 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -95.52 -44.07 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.1 m -56.19 -52.01 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -67.44 -3.44 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.8 t30 -101.3 -33.45 10.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.93 -23.69 41.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.69 25.54 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 27.4 m -117.85 -178.6 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.8 t -127.71 123.68 36.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.3 t80 -87.84 122.39 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 12.7 t70 -90.65 -85.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.598 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 1.1 t 90.58 -19.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 40.7 mtm180 -57.83 -45.93 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.832 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -120.62 113.6 33.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.602 1.189 . . . . 0.0 109.366 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.5 16.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.45 -3.91 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.006 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -120.26 -178.73 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.432 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.13 28.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.1 t -170.43 109.35 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -146.8 -170.86 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.57 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.84 72.16 21.74 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.66 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.07 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.3 OUTLIER -94.26 35.5 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.57 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -55.32 -24.68 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.454 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.1 OUTLIER -40.7 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.22 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.45 24.11 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 13.8 t -101.38 -74.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 108.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.47 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 9.2 t -58.91 -25.32 63.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.46 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.6 t80 . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -87.78 70.92 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.881 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 20.5 m-85 -88.54 71.32 8.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.445 HG23 ' N ' ' 2' ' 5' ' ' GLY . 26.9 m -123.7 -49.01 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.562 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -71.28 1.18 28.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.881 HD21 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -131.05 9.75 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.463 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 43.5 p -106.54 -164.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.057 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.714 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -59.33 84.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 167.53 -31.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 51.3 tt0 -64.57 -29.28 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.833 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 41.8 t -70.42 -2.25 13.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -117.81 10.99 13.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.934 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.92 167.79 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.934 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.6 Cg_endo -74.94 27.7 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 111.064 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.974 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 48.71 65.7 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.82 36.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 6.8 t70 -159.64 15.44 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.1 mtt180 -90.72 172.32 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.588 HG12 ' O ' ' 2' ' 19' ' ' VAL . 58.8 t -99.99 18.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 30.51 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.1 -35.99 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 108.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 58.48 12.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.614 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -90.76 139.55 26.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.4 13.92 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -38.64 126.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.807 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.07 153.64 9.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.08 47.42 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -178.85 -20.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.807 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -94.41 -45.63 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.2 m -54.58 -57.54 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.5 m120 -58.48 -14.79 8.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -91.66 -31.14 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.614 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.64 -24.64 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 119.31 20.59 3.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.1 m -121.11 164.45 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.522 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -109.55 135.82 49.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CD2' ' C ' ' 2' ' 27' ' ' THR . 33.8 t80 -97.92 117.42 32.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.578 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.25 -83.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.578 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.06 -23.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -65.87 -43.81 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.974 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.2 mt -119.92 106.01 42.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.412 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 -3.32 13.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.7 -5.77 64.44 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.034 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.931 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.42 -176.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.6 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 120.15 5.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.5 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -94.4 30.03 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.594 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 5.8 t -165.92 104.59 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -145.0 -169.86 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' CD ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.77 70.3 27.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.659 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.833 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -100.19 42.53 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' OE1' ' CA ' ' 2' ' 36' ' ' CYS . 17.8 mm-40 -52.65 -15.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.647 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.97 -21.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -37.52 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.47 15.0 9.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -91.82 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 108.31 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.647 HG22 ' O ' ' 2' ' 54' ' ' GLU . 9.0 t -50.26 -36.86 33.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.884 ' O ' HG23 ' 1' ' 4' ' ' VAL . 3.8 mt-10 -90.19 83.43 6.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 30.0 m-85 -35.34 85.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.884 HG23 ' O ' ' 1' ' 2' ' ' GLU . 85.2 t -133.5 -48.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.33 -1.74 37.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.775 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -130.93 6.75 4.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 0.702 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -174.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.947 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -73.25 -5.25 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.3 OUTLIER -103.08 -3.11 26.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.533 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 11.9 pt20 -63.77 -40.4 96.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.669 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 15.6 t -61.27 -11.32 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.261 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -99.41 22.15 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.585 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -41.84 167.97 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.701 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 3.81 5.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.564 1.823 . . . . 0.0 111.027 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.921 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 83.95 48.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.321 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.475 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 176.98 45.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.585 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 56.9 t0 -155.32 11.93 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.3 mtt180 -92.69 176.13 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.3 t -108.7 20.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 33.83 91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.78 -34.36 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.54 57.07 21.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.48 144.02 30.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -12.49 21.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.431 1.753 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -127.81 44.46 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.591 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -61.31 119.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.527 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.52 154.56 7.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.07 57.39 4.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 ttpt -179.46 -25.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.527 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -97.47 -46.59 6.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.4 m -64.29 -55.53 20.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -63.25 -5.52 3.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 25.5 t30 -106.5 -27.61 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -85.54 -30.17 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.06 23.42 1.29 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 73.7 m -120.96 174.87 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.581 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.8 t -121.4 126.54 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 53.2 t80 -91.47 120.78 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.588 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.01 -82.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.48 -23.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.415 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 11.3 mtm105 -63.21 -44.24 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.825 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -120.26 111.21 35.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.97 -7.87 19.59 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.513 1.796 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.37 -2.87 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.921 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -120.71 -178.31 0.57 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.21 5.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.496 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.26 27.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 107.966 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.701 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.7 t -169.55 107.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -142.44 -169.5 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.638 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 68.54 35.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.669 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.5 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -91.49 31.59 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.638 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.7 mm-40 -54.16 -19.19 4.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 2.9 pt-20 -41.52 -25.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.01 -71.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.493 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 10.5 mt-10 -124.11 21.9 8.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.48 -58.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.3 t -71.61 -35.15 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.7 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.553 ' HG3' ' CD1' ' 2' ' 3' ' ' TYR . 0.7 OUTLIER -89.37 -131.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.553 ' CD1' ' HG3' ' 2' ' 2' ' ' GLU . 1.3 m-85 -75.97 75.2 2.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.584 HG23 ' H ' ' 2' ' 5' ' ' GLY . 16.6 m -128.98 -58.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.971 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -68.41 4.29 5.15 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.971 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -150.61 28.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -105.72 168.83 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.761 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -72.17 -2.35 18.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.94 -2.57 31.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -64.63 -41.71 95.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 46.5 t -69.67 -4.29 18.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.78 21.16 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.54 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -42.92 168.03 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.657 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 3.56 5.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.718 ' HB1' HD12 ' 2' ' 42' ' ' ILE . . . 83.51 46.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.495 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 176.16 42.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 46.5 t0 -148.91 11.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.579 ' NH1' HG13 ' 2' ' 45' ' ' VAL . 5.6 mtt180 -91.74 175.22 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -107.05 18.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 33.9 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.27 -36.11 19.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.59 61.93 4.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.654 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -92.16 145.18 30.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 110.97 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.07 -8.62 20.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -120.55 10.25 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.709 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -36.96 125.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.606 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.68 155.03 8.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 48.62 2.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 0.9 OUTLIER -179.02 -17.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.606 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.6 mt-10 -99.38 -44.78 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 61.4 m -55.4 -54.89 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 108.226 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.82 -11.03 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.89 -30.3 14.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.648 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.95 -25.72 25.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.19 24.83 2.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.637 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.7 m -120.86 169.12 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.4 t -114.17 129.95 56.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 52.8 t80 -94.97 118.46 31.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.6 t70 -84.94 -81.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 89.03 -18.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 6.9 mtp-105 -55.63 -60.91 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.718 HD12 ' HB1' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER -108.59 126.76 28.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.47 21.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.55 -8.41 64.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.911 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.41 169.09 7.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.911 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.42 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -87.18 29.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.709 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.0 t -169.99 103.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.666 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.2 -169.79 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 70.58 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.666 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.08 -93.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.761 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -101.57 37.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.559 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm100 -48.52 -21.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.46 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.362 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.53 -62.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 10.2 mt-10 -143.48 19.27 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.467 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.31 -56.41 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.343 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.436 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.3 t -64.94 -35.39 81.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.41 ' CG ' ' H ' ' 1' ' 2' ' ' GLU . 6.6 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.41 ' H ' ' CG ' ' 1' ' 1' ' ' GLU . 19.1 tt0 -88.69 36.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.68 80.23 5.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -112.29 -50.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.878 ' O ' HD13 ' 1' ' 6' ' ' LEU . . . -71.67 4.61 14.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.878 HD13 ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -131.5 -1.15 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 36.3 t -108.03 -151.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.87 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -59.36 137.16 58.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.621 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER 93.69 -22.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.638 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -63.14 -31.73 72.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.677 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 44.1 t -68.95 -5.06 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 108.212 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -100.82 16.54 24.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.891 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -45.21 167.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.891 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 27.58 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.944 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 49.39 65.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' 1' ' 14' ' ' PRO . 0.1 OUTLIER 174.54 37.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.528 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 11.2 t70 -157.18 13.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.589 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.7 mtt180 -89.97 174.99 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.3 t -106.3 19.4 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 32.56 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.53 -35.21 19.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.46 60.94 4.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.628 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.29 143.16 27.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 111.074 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -126.18 16.82 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.601 HG23 ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.28 127.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.662 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.03 156.34 9.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.456 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.09 52.8 3.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 175.53 -20.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.662 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -96.3 -44.19 7.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' 1' ' 26' ' ' VAL . 56.1 m -55.48 -52.97 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.3 m120 -67.99 -2.32 7.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 14.8 t-20 -100.3 -34.76 9.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.628 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.89 -24.93 40.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.26 25.44 2.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 14.6 m -116.42 -177.31 3.15 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -128.49 122.41 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 108.226 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 75.0 t80 -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 25.3 t70 -89.8 -82.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.554 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.09 -17.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -61.9 -42.08 98.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.894 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.1 mt -122.56 109.25 32.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.53 61.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.944 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.53 -176.38 0.41 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.365 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -74.84 116.39 4.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.451 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -91.09 28.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.045 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.6 t -169.68 108.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.75 -170.75 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.585 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.31 71.52 12.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.657 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.96 -98.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.87 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -92.94 36.07 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 55.0 mm-40 -57.79 -17.59 16.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.511 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.4 pt-20 -50.27 -19.41 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -35.96 -69.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.77 15.12 8.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' 1' ' 58' ' ' THR . 46.3 t -96.89 -89.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.3 t -32.03 -39.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' 1' ' 57' ' ' CYS . 5.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . 0.45 ' HA ' ' CE1' ' 2' ' 3' ' ' TYR . 6.0 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.69 -9.87 57.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' 2' ' 1' ' ' GLU . 6.4 p90 -92.29 84.1 5.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.52 HG23 ' H ' ' 2' ' 5' ' ' GLY . 13.7 m -138.09 -56.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.52 ' H ' HG23 ' 2' ' 4' ' ' VAL . . . -66.92 -0.04 8.24 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.666 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -151.9 24.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.486 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 30.1 t -108.0 146.8 31.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.725 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -57.14 85.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.3 OUTLIER 170.46 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.451 ' OE1' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.25 -27.88 68.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.698 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 44.5 t -73.62 -4.34 33.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.04 12.57 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.894 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -44.75 166.33 0.13 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.894 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 27.57 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.91 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 49.16 64.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 176.55 36.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.514 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 23.4 t0 -158.02 14.5 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.9 mtt180 -90.26 174.85 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 15.8 t -104.69 21.39 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 29.71 85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.5 -33.43 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.53 59.51 5.3 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.56 1.162 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.87 142.25 27.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.982 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.43 16.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -121.43 9.82 10.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 109.632 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.661 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.0 124.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.772 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.5 158.21 11.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.533 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.94 47.62 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER 178.8 -19.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.772 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -93.47 -45.47 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 68.7 m -54.04 -57.15 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -60.97 -12.74 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -87.79 -36.06 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.659 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.74 -25.33 32.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.481 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.86 22.6 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.3 m -115.15 170.01 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.8 t -114.59 131.07 56.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 53.0 t80 -93.24 120.37 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.55 -83.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 85.14 -23.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -64.66 -42.34 95.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -120.67 106.89 39.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.11 -4.07 14.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.76 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -5.74 65.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.896 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.08 -175.96 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.602 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 111.05 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.534 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.54 26.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.08 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.661 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 11.4 t -167.48 106.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 108.261 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.34 -169.8 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 70.63 66.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.0 -92.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.725 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -99.64 39.22 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.594 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.9 mm100 -50.6 -18.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.1 OUTLIER -42.65 -25.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.093 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.19 -70.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.88 17.69 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 t -93.41 -70.97 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 7.7 t -47.93 -38.35 16.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.688 ' N ' ' CE2' ' 1' ' 3' ' ' TYR . 19.9 mt-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -78.77 -8.13 58.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.773 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 3.8 p90 -92.69 70.24 4.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -118.43 -54.88 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.223 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.454 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -72.19 9.17 5.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' 1' ' 3' ' ' TYR . 0.9 OUTLIER -143.59 15.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.28 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' 1' ' 3' ' ' TYR . 51.5 p -87.86 167.91 13.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.771 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -67.46 -8.58 34.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.1 -15.2 32.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.454 ' HG3' ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -60.69 -39.92 90.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.777 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 22.0 t -68.66 -6.32 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.53 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -105.25 22.95 14.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.53 ' O ' ' O ' ' 1' ' 12' ' ' ALA . 0.0 OUTLIER -40.71 168.33 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.93 2.2 6.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.846 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 84.86 48.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.497 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 174.13 44.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.31 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 45.9 t0 -153.46 11.47 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.561 ' NH1' HG23 ' 1' ' 45' ' ' VAL . 5.5 mtt180 -91.33 177.03 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' 1' ' 20' ' ' ASP . 2.7 t -111.45 18.83 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 35.88 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.64 -35.1 60.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.23 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.31 56.69 23.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.428 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -91.36 142.74 27.32 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -13.29 21.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -123.5 36.41 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.527 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.685 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -54.14 117.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.492 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.8 153.53 5.91 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.567 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 60.01 5.33 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.1 tttt 179.48 -27.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.492 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -97.93 -45.5 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 110.22 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.7 m -64.31 -54.72 28.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -64.84 -5.02 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.8 t30 -107.55 -26.0 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -86.69 -33.19 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.217 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 131.85 22.31 0.94 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 70.8 m -120.94 176.44 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.538 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.8 t -123.98 122.73 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 67.7 t80 -89.06 122.67 32.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.4 t70 -88.97 -84.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.31 -15.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -63.6 -45.99 87.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.846 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.82 115.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.38 19.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.52 -3.58 66.65 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.764 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -119.75 179.16 0.93 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 116.65 4.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.535 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -89.1 28.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.685 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.3 t -172.06 108.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -143.21 -168.73 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 111.048 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.12 69.31 28.79 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.646 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.95 -99.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.481 1.78 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.777 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -92.1 35.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.532 1.145 . . . . 0.0 109.17 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.593 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.2 mm-40 -57.44 -21.71 38.61 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.9 pt-20 -45.38 -22.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.12 -64.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.23 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.47 17.74 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -98.33 -87.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 108.294 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.5 t -38.3 -35.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 46.5 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -122.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' 2' ' 6' ' ' LEU . 5.0 p90 -90.87 76.64 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 57.5 t -129.4 -63.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.426 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -67.66 3.77 4.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.138 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER -152.81 28.24 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' 2' ' 52' ' ' LEU . 0.5 OUTLIER -88.97 173.19 8.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.717 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -69.22 -3.81 15.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.18 -10.77 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.426 ' HG3' ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -62.6 -34.97 78.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.745 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 52.0 t -73.7 -0.71 16.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.366 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -116.94 12.76 14.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.933 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.7 163.29 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.933 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 30.51 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.444 1.76 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.946 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 48.57 74.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 162.79 47.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.522 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 40.2 t0 -161.14 -31.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.673 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 16.0 mtt180 -44.19 170.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.0 t -107.03 22.1 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.32 88.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.596 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.4 t -49.03 -35.41 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 108.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.22 54.48 37.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.41 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -89.85 136.17 29.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -1.95 11.91 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 24.26 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.4 1.063 . . . . 0.0 109.587 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.625 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -46.74 124.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -170.81 156.31 4.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 49.0 2.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.2 OUTLIER -176.74 -18.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -99.23 -44.96 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.0 m -61.97 -57.72 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.0 -6.08 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 12.0 t30 -101.47 -29.5 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.503 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -87.25 -29.99 21.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.25 23.09 1.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.6 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.4 m -121.34 167.59 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.638 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -108.1 138.21 44.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.586 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.6 t80 -93.67 123.59 37.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 9.1 t70 -66.05 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 91.24 -9.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . 0.408 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER -91.16 -56.17 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.946 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -115.21 119.93 37.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.18 20.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -8.58 62.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.801 HG22 ' CD ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -106.3 172.85 3.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.801 ' CD ' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 116.66 4.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.58 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.16 29.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.966 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.596 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 2.6 t -168.32 93.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.238 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -134.08 -171.07 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -128.2 69.23 77.71 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -91.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.745 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -101.95 40.73 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.58 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 19.6 mm100 -51.03 -15.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.476 ' HA ' HG22 ' 2' ' 58' ' ' THR . 0.5 OUTLIER -44.67 -22.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.25 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -35.21 -67.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.9 17.62 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.58 -73.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.49 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 9.0 t -48.67 -35.14 13.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.49 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' 1' ' 3' ' ' TYR . 3.8 pt-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -90.24 78.36 6.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.742 ' HA ' HD11 ' 1' ' 6' ' ' LEU . 4.0 p90 -90.91 73.37 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.531 HG13 ' N ' ' 1' ' 5' ' ' GLY . 7.2 p -128.65 -56.23 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.531 ' N ' HG13 ' 1' ' 4' ' ' VAL . . . -71.15 8.53 4.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.422 1.076 . . . . 0.0 110.973 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.742 HD11 ' HA ' ' 1' ' 3' ' ' TYR . 0.3 OUTLIER -151.09 22.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.378 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' 1' ' 52' ' ' LEU . 3.2 p -84.58 167.98 15.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.053 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.722 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -66.98 -5.72 13.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -96.88 -9.23 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.502 ' HG3' ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -64.42 -37.82 88.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.65 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 45.0 t -74.16 -0.42 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 108.393 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -104.9 7.39 34.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' 1' ' 17' ' ' ASP . 0.9 OUTLIER -37.49 156.54 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 29.37 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.017 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 52.33 66.66 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 167.76 40.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.589 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 40.0 t0 -160.65 12.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.248 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 16.6 mtt180 -90.53 176.35 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.8 t -107.16 20.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.516 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 31.79 87.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.506 ' SG ' ' CE ' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -49.47 -35.32 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.49 61.19 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.57 144.01 28.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 111.04 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -7.78 19.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.585 1.834 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 23.5 m-70 -122.72 14.38 10.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.697 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.566 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -38.83 126.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.709 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.32 154.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.475 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 51.51 2.79 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 177.93 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.709 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -95.45 -44.19 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.348 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 38.7 m -55.86 -52.98 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 108.375 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -66.3 -5.01 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.5 t-20 -100.14 -32.6 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.91 -22.96 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 0.0 110.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.45 26.22 2.95 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 23.7 m -118.73 -178.23 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -126.92 121.54 32.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.2 t80 -88.81 119.82 29.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.3 t70 -89.32 -81.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 85.23 -13.82 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -66.75 -40.91 88.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 1.017 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.2 mt -123.05 109.37 31.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.449 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.61 62.68 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.762 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.71 -176.17 0.4 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.608 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.97 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.449 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -90.48 27.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.521 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 36.3 t -170.42 109.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.83 -171.25 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.659 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.13 14.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.615 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.02 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -92.69 32.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.659 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.4 mm100 -53.58 -21.11 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER -40.1 -26.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.59 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.72 21.95 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' CD ' ' 2' ' 53' ' ' GLN . 1.8 t -108.45 -52.2 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.501 ' HA ' ' NE2' ' 2' ' 53' ' ' GLN . 0.6 OUTLIER -57.71 -29.76 64.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.0 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.564 ' O ' HD11 ' 2' ' 6' ' ' LEU . 5.8 mt-10 -88.71 72.52 8.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.727 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -90.68 63.08 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.493 HG23 ' N ' ' 2' ' 5' ' ' GLY . 30.4 m -121.06 -51.15 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.493 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -72.16 3.06 24.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.727 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -127.87 2.8 5.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 68.1 p -71.88 -177.5 2.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.086 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.738 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -73.78 -4.99 38.04 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 0.8 OUTLIER -99.04 -5.97 29.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.554 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.8 OUTLIER -65.02 -40.49 94.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.685 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 16.1 t -63.61 -8.29 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -99.97 16.4 24.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.862 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.53 162.71 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.302 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.862 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 28.84 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.888 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 48.85 73.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.75 48.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 22.4 t0 -163.99 -26.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -48.06 179.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.215 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 HG12 ' O ' ' 2' ' 19' ' ' VAL . 23.4 t -113.94 19.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.2 OUTLIER 33.89 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -56.5 -32.91 65.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 108.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.47 56.95 19.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.414 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.59 137.28 28.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.11 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.96 21.83 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.445 1.09 . . . . 0.0 109.671 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.692 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.4 p -41.31 122.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.648 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -168.09 151.24 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 49.96 2.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.648 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -95.8 -43.88 7.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 36.0 m -61.42 -56.54 19.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.321 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -63.86 -6.41 5.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -101.84 -29.47 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.487 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -85.82 -30.58 22.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.98 22.85 1.51 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.7 m -119.82 174.65 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.554 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -122.3 126.05 47.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 108.268 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.65 ' CE2' HG22 ' 2' ' 26' ' ' VAL . 13.5 t80 -93.03 125.0 37.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.2 t70 -90.04 -80.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.92 -15.61 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.993 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.33 -59.08 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.703 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.2 OUTLIER -109.69 125.77 30.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -14.2 21.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.73 -10.01 65.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.14 170.0 6.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.692 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -87.22 28.86 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 107.947 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.525 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.8 t -171.91 99.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.265 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -133.98 -166.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.57 65.91 53.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.736 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.91 -99.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.738 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -96.83 40.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.667 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -42.4 -22.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 10.2 mt-10 -37.21 -29.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.72 -60.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.66 22.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.67 -54.12 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.468 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 0.6 OUTLIER -70.78 -38.18 73.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.468 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.59 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 4.2 mt-10 -90.47 81.21 5.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.676 ' HD2' HD12 ' 1' ' 6' ' ' LEU . 85.9 m-85 -29.13 89.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.59 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 0.2 OUTLIER -110.15 -51.13 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.975 ' C ' HD23 ' 1' ' 6' ' ' LEU . . . -74.88 10.26 9.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.975 HD23 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -136.54 9.23 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.496 ' N ' ' HB3' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -74.89 -170.27 1.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.994 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.809 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -68.32 -24.69 64.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.5 OUTLIER -88.07 -5.7 58.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.694 ' HG3' ' N ' ' 1' ' 11' ' ' CYS . 0.0 OUTLIER -63.77 -38.58 91.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.694 ' N ' ' HG3' ' 1' ' 10' ' ' GLN . 13.0 t -67.15 -5.97 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -101.58 21.38 14.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.739 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -41.56 167.2 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.706 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 2.61 6.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.813 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' 1' ' 14' ' ' PRO . . . 85.61 52.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.462 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 4.5 ptpt 174.57 46.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.739 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 51.2 t0 -155.59 10.99 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.581 ' NH1' HG13 ' 1' ' 45' ' ' VAL . 6.1 mtt180 -92.13 -177.1 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 6.0 t -118.64 22.38 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.87 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.07 -34.52 56.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.252 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.93 54.36 38.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 138.43 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.63 17.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -128.73 34.82 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -55.05 122.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -166.57 152.08 7.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.01 55.08 3.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 6.8 ttpt 179.61 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 1' ' 27' ' ' THR . 2.0 mt-10 -94.78 -45.42 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.8 m -63.83 -57.51 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 108.379 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.4 m120 -60.55 -7.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -105.79 -26.74 11.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.512 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.89 -26.07 22.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.511 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 124.63 20.06 2.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 78.0 m -120.86 167.36 12.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -114.82 125.86 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 56.5 t80 -92.12 120.49 32.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.1 t70 -88.09 -81.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.534 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.42 -17.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -55.09 -60.36 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.575 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER -111.18 129.18 24.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -75.11 -14.6 20.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.33 67.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.872 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.78 169.01 7.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 113.36 3.78 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.517 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -85.9 27.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.67 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 31.5 t -171.26 103.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.661 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -169.65 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 68.69 29.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.648 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -75.06 -100.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.809 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.46 34.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.567 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 34.9 mm-40 -53.24 -19.12 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.424 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -43.13 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.72 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.63 26.03 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 17.9 t -103.49 -67.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 108.219 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 0.8 OUTLIER -79.99 -25.74 40.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.1 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -90.39 73.73 6.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.646 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 23.2 m-85 -88.39 66.63 8.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 49.1 t -116.91 -54.63 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.474 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -74.01 15.95 2.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.646 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -148.68 10.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.362 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 92.1 p -114.41 -167.68 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.778 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -54.82 145.26 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.635 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 1.5 t30 94.22 -25.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.474 ' HG3' ' C ' ' 2' ' 5' ' ' GLY . 0.3 OUTLIER -59.99 -40.57 89.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.66 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.8 t -60.79 -8.45 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.28 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -99.53 23.06 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -41.8 168.9 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.173 . . . . 0.0 109.349 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.641 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 4.26 4.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.55 1.816 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' 2' ' 45' ' ' VAL . . . 80.62 44.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.478 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.7 OUTLIER 175.82 39.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 27.6 t70 -146.79 12.05 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.232 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.573 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 3.4 mtt180 -90.75 -175.14 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.609 1.193 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.3 t -116.63 19.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 34.91 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -51.21 -33.66 28.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.72 53.96 40.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -88.94 141.19 29.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.045 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.0 -8.97 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.75 36.96 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.651 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -55.66 118.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.609 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.39 154.58 9.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 50.98 2.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -173.75 -24.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.609 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -97.37 -44.24 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 7.3 m -65.27 -53.21 47.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 108.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -65.27 -5.4 7.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -105.04 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.83 -32.18 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 128.69 24.66 1.08 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.405 1.065 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.3 m -121.85 166.64 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 2.2 t -114.12 128.49 56.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 108.368 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 44.2 t80 -94.95 116.49 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.57 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.15 -82.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.57 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.26 -23.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.29 -47.23 77.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.89 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -115.69 110.82 44.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.55 18.19 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.472 1.775 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.03 -2.28 64.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -119.71 -179.66 0.73 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 117.91 5.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.513 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.4 28.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.582 1.176 . . . . 0.0 108.021 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.651 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 27.1 t -169.87 106.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.86 -170.49 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.29 70.52 43.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.66 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.01 -97.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.778 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -105.47 44.85 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 35.1 mm-40 -55.22 -14.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' 2' ' 58' ' ' THR . 65.2 mt-10 -47.61 -20.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.94 -67.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.39 15.01 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.214 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -59.32 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.575 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 7.3 t -61.29 -33.13 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.49 ' C ' ' NE2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -90.02 -113.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.647 ' HA ' HD23 ' 1' ' 6' ' ' LEU . 16.0 p90 -90.63 59.05 4.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 92.6 t -119.21 -46.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.803 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -71.76 1.46 30.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.803 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -126.37 1.07 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 71.6 p -73.18 179.04 4.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.975 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -72.4 -5.82 39.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.49 -1.95 31.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.671 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 4.6 pt20 -66.07 -39.4 90.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.654 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 17.8 t -63.24 -9.13 10.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 0.0 108.341 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -105.28 18.04 22.96 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.923 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.05 168.0 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.92 26.87 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.554 1.818 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 50.36 72.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.83 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.493 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 15.8 t70 -163.81 15.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.9 mtt180 -91.36 172.26 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.1 t -99.37 16.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 33.56 85.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CD1' ' 1' ' 23' ' ' TYR . 3.8 t -47.17 -38.78 12.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.62 58.4 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.629 ' O ' HG12 ' 1' ' 26' ' ' VAL . 1.5 m-85 -91.17 147.64 36.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.92 13.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.23 14.19 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.656 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.0 p -44.69 128.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.639 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.98 153.57 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' 1' ' 27' ' ' THR . 18.1 Cg_endo -75.08 52.29 3.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.23 -21.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.639 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -95.74 -44.16 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 28.3 m -55.45 -53.75 52.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -65.81 -3.78 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 24.4 t-20 -104.02 -29.0 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -84.33 -26.71 28.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.77 26.05 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -120.13 179.44 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.557 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.2 t -126.11 122.11 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 46.1 t80 -88.42 123.6 33.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.5 t70 -91.23 -81.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 86.34 -13.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -65.62 -43.02 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.86 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.1 mt -121.72 112.1 32.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -5.54 16.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.624 1.855 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -5.42 61.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.155 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.556 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -120.21 -177.88 0.52 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -74.98 116.0 4.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.419 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.48 28.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.656 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 45.0 t -171.98 107.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.337 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.34 -168.31 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.666 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.16 68.71 27.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.671 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.3 Cg_endo -74.98 -101.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.449 1.763 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.975 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -87.38 33.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.666 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 45.3 mm-40 -57.62 -19.27 24.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.3 OUTLIER -44.4 -24.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.83 -64.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.78 25.12 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 5.9 t -104.88 -58.06 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 108.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.8 t -69.15 -34.84 75.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' 2' ' 3' ' ' TYR . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.83 66.18 6.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' 2' ' 3' ' ' TYR . 14.3 p90 -91.53 81.77 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.498 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 38.5 t -130.84 -64.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.607 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -67.51 6.01 2.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.705 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -156.41 27.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.243 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' 2' ' 3' ' ' TYR . 0.1 OUTLIER -106.0 160.31 15.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 1.004 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -61.01 91.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 164.02 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.607 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 36.9 tt0 -62.21 -29.36 70.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.636 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 44.4 t -73.3 -1.82 19.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 108.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.59 10.45 13.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.949 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -44.88 167.46 0.1 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.949 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 28.09 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.018 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 48.42 64.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 178.61 36.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.439 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 8.1 t70 -160.66 17.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.544 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -90.5 170.61 10.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.183 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.8 t -96.88 18.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 29.94 82.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -46.75 -38.02 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 58.52 13.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.97 140.31 26.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 2.1 t-160 -123.52 9.56 9.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.671 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.0 p -35.0 125.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.584 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.95 155.68 6.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.0 47.5 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.3 tttt -179.06 -14.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.584 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -101.38 -44.21 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.229 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 69.3 m -58.63 -54.24 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -63.47 -9.79 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -98.05 -28.21 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.99 -25.27 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.82 23.76 3.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 61.8 m -121.61 170.24 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.7 t -113.78 134.69 54.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 40.2 t80 -96.42 117.51 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.97 -82.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.359 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.87 -24.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.21 -43.53 94.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 1.018 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.7 OUTLIER -120.14 106.32 41.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.405 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.0 Cg_endo -75.06 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.63 -4.7 63.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 1.014 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.16 -175.88 0.39 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.98 120.49 6.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -95.51 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.704 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.8 t -165.8 106.6 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.638 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -146.49 -169.66 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.41 69.95 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.636 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.04 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 1.004 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -97.93 35.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 30.1 mm100 -46.86 -21.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -35.74 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.52 -60.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -141.5 14.31 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.97 -58.05 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.464 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 15.3 t -70.99 -44.31 66.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 0.2 OUTLIER -91.55 94.07 9.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -66.6 69.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.487 HG13 ' N ' ' 1' ' 5' ' ' GLY . 7.1 p -127.91 -52.36 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.073 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.541 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -71.06 0.08 32.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.446 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -131.31 12.9 5.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' 1' ' 8' ' ' ALA . 34.9 t -106.58 -157.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.946 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -67.78 81.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 169.57 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.541 ' NE2' ' O ' ' 1' ' 5' ' ' GLY . 50.8 tt0 -59.92 -33.3 71.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.643 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 42.1 t -65.82 -7.34 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -108.6 13.91 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.875 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -40.92 164.83 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.875 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 28.35 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.462 1.769 . . . . 0.0 111.041 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.827 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 50.31 71.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 162.97 51.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.474 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 20.3 t70 -166.56 -25.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 8.0 mtt180 -46.96 175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.0 t -107.12 18.34 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.4 t0 33.38 87.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.45 -36.46 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.67 61.23 6.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.18 142.12 25.86 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 0.77 . . . . 0.0 110.997 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -9.45 20.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.3 OUTLIER -121.46 15.87 11.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.547 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.2 p -39.16 127.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.559 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.58 152.75 6.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 54.52 3.69 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.559 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.0 OUTLIER -99.37 -44.49 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.3 m -56.23 -51.52 67.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m120 -68.62 -2.3 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.0 t-20 -105.47 -28.74 10.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.1 -24.3 30.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.88 25.67 2.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.0 m -119.78 -179.31 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.5 t -125.83 126.59 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 45.0 t80 -89.14 121.45 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -84.13 -82.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 84.88 -22.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -62.99 -45.23 93.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.794 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -118.88 110.75 38.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -6.58 18.28 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.91 -2.21 62.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.827 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -120.57 -177.91 0.53 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 0.81 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.553 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.09 118.52 5.27 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.502 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.77 27.79 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.654 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 16.4 t -168.96 106.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 108.232 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.71 -170.65 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.664 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.36 69.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.644 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -96.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -91.62 32.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.664 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 54.4 mm-40 -58.93 -27.18 65.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 8.0 pm0 -42.27 -25.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.84 -62.9 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.13 24.9 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER -103.16 -54.74 2.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.572 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.1 t -89.11 -36.33 15.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 10.7 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -87.24 -16.15 36.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.526 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 4.5 p90 -92.35 75.93 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -134.82 -54.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.427 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -67.11 -0.3 9.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.672 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -146.46 27.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 109.296 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 73.1 p -108.42 171.44 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.76 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -64.94 87.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 0.2 OUTLIER 164.47 -26.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.468 ' O ' HG13 ' 2' ' 13' ' ' VAL . 0.0 OUTLIER -60.91 -32.38 71.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.65 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 51.6 t -68.49 -6.76 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -104.18 21.03 17.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.552 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -43.05 168.25 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.681 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 4.37 4.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.908 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 82.83 46.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.48 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 175.7 42.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.552 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 34.5 t0 -148.97 12.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.57 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 5.5 mtt180 -92.03 178.97 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.22 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -110.61 21.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 32.09 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.19 -37.67 16.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.74 57.72 15.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -91.18 140.4 25.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 111.054 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -4.39 15.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 14.17 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.89 126.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.624 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -168.05 155.27 7.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.06 47.64 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -179.83 -17.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.624 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -97.93 -45.15 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.5 m -54.54 -55.25 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -61.44 -13.5 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.74 -34.76 17.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.21 -26.88 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.247 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.73 25.34 2.61 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.624 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.4 m -117.98 171.63 7.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 2.0 t -115.35 131.52 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 51.3 t80 -94.24 117.38 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -78.88 -83.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.78 -22.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -65.21 -46.6 80.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.908 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.7 OUTLIER -116.58 110.7 42.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.268 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -6.72 18.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.4 -2.31 65.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.415 1.072 . . . . 0.0 110.999 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.789 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -120.37 -179.49 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.04 117.06 4.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.456 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -88.24 27.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.025 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.657 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 8.5 t -168.92 106.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 108.375 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.74 -170.83 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.36 70.74 63.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.65 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.97 -92.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -102.76 39.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 20.4 mm100 -51.29 -19.89 1.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.448 ' O ' HG22 ' 2' ' 58' ' ' THR . 18.7 mt-10 -40.82 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.22 -72.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 22.29 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 3.1 t -98.69 -72.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.448 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.3 t -54.69 -39.51 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.961 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.69 -100.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.814 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 25.5 p90 -74.18 62.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.513 HG13 ' N ' ' 1' ' 5' ' ' GLY . 14.0 p -123.59 -52.48 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.513 ' N ' HG13 ' 1' ' 4' ' ' VAL . . . -69.62 1.73 13.84 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.814 HD21 ' HA ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -139.28 17.9 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 0.803 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -104.71 157.21 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -71.25 -3.0 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.78 -16.75 31.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.41 ' HG3' ' HA2' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -66.78 -37.83 85.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.329 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.791 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 39.6 t -71.4 -1.97 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 108.248 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -109.37 10.41 25.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.95 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -42.37 165.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.95 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 29.03 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.579 1.831 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.979 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 45.95 63.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.71 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.45 ' H ' ' H ' ' 1' ' 18' ' ' ARG . 15.5 t70 -161.19 -20.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 6.5 mtt180 -49.06 -179.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.57 HG12 ' O ' ' 1' ' 19' ' ' VAL . 47.0 t -113.05 19.37 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 33.42 90.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.51 -33.14 43.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.8 55.96 27.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.501 1.126 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -90.84 140.94 26.38 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.059 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 -6.65 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -132.87 47.12 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.677 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -64.24 122.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.544 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.96 153.73 6.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.449 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 56.53 4.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.9 tttp -179.91 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.544 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.0 OUTLIER -98.24 -45.8 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.1 m -64.3 -54.86 26.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -64.46 -5.17 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.1 t30 -106.71 -26.75 11.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -84.96 -32.26 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.518 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 130.49 23.05 1.02 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.4 m -120.52 179.81 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' HB2' ' CD ' ' 1' ' 51' ' ' PRO . 3.7 t -125.23 129.0 49.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 45.0 t80 -90.25 122.87 33.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' 1' ' 47' ' ' TRP . 4.4 t0 -76.56 -89.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.0 t 90.49 -24.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.956 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -43.86 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.979 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.5 OUTLIER -120.08 104.57 43.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -3.45 13.93 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.97 64.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.921 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.2 m -121.74 -173.85 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.97 123.86 8.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -97.01 28.09 3.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.677 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 33.6 t -166.06 104.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -172.22 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.673 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.01 69.98 39.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.926 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.627 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.99 -96.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.416 1.745 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.791 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -91.95 30.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.673 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.19 -21.75 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.706 ' HG2' HG22 ' 1' ' 58' ' ' THR . 0.2 OUTLIER -39.11 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.53 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.453 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.7 tt0 -127.52 24.49 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.0 t -106.42 -51.58 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.342 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.706 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -90.85 -29.84 17.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.8 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.26 -135.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.683 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -80.2 61.2 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 m -121.99 -44.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.733 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -69.35 -3.36 38.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.733 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -113.71 -8.43 13.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.896 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.594 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 58.2 p -114.31 163.63 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.972 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . 36.51 -91.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' 2' ' 7' ' ' SER . 17.3 t30 -35.6 -32.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.623 ' HB2' ' C ' ' 2' ' 6' ' ' LEU . 1.4 tt0 -64.02 -49.26 73.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.899 ' HB2' HD23 ' 2' ' 52' ' ' LEU . 40.8 t -66.9 -5.71 13.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 108.261 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.15 16.86 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.914 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -46.7 168.02 0.14 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.914 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -74.95 27.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.007 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 50.09 65.43 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.436 ' O ' ' CE ' ' 2' ' 16' ' ' LYS . 0.0 OUTLIER 175.78 36.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.536 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 26.9 t0 -157.29 13.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 8.8 mtt180 -90.05 176.42 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.5 t -107.9 22.17 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 30.43 87.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.2 t -49.0 -33.02 10.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.98 60.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.56 134.95 33.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.8 15.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.428 1.751 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -123.92 25.81 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.66 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.9 OUTLIER -47.5 121.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.613 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -166.55 151.84 7.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.0 Cg_endo -75.1 49.28 2.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.585 1.834 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -176.06 -22.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.194 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.613 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -95.75 -45.71 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 10.9 m -61.82 -58.57 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -59.86 -9.71 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 19.0 t30 -100.91 -27.8 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.504 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.38 -25.21 21.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.496 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 121.73 22.55 2.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.5 m -121.7 163.72 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.588 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -111.22 132.34 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.486 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 39.1 t80 -96.74 118.32 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.552 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -77.2 -83.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.552 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 86.88 -23.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -66.34 -43.1 87.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 1.007 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.2 mt -121.03 106.29 39.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.406 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -5.53 65.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.855 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.45 -175.81 0.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.588 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.36 6.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.66 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.77 28.38 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.9 t -167.06 103.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.61 -168.57 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.627 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.22 68.22 36.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.65 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.97 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.972 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -92.37 33.15 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm-40 -51.84 -22.8 4.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -41.58 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.75 -59.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.448 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 45.6 mt-10 -145.79 21.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -98.61 -54.7 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 8.6 t -71.03 -43.07 68.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -90.33 73.75 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.611 1.194 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.624 ' HD1' HD23 ' 1' ' 6' ' ' LEU . 8.4 m-85 -59.27 86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.473 HG23 ' N ' ' 1' ' 5' ' ' GLY . 33.1 m -115.05 -49.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.916 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -70.48 -0.48 31.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.122 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.916 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -127.74 0.8 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 0.739 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.518 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 58.8 p -112.1 -151.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.626 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -39.21 143.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 89.21 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.565 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -59.74 -36.29 76.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.813 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 40.1 t -67.36 -5.41 14.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -107.37 13.93 26.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.873 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.42 166.97 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.873 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.1 Cg_endo -74.99 27.94 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.018 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 47.87 61.83 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.366 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' 1' ' 14' ' ' PRO . 0.0 OUTLIER 179.96 34.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.469 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 16.7 t0 -157.59 14.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.365 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.7 mtt180 -88.57 174.29 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.2 t -104.59 21.19 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 29.91 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.43 -33.27 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.367 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.22 60.57 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.552 1.158 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -90.75 146.48 34.14 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 111.03 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.52 21.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -127.08 35.4 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.521 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -57.83 128.34 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.554 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -169.9 155.19 5.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 55.78 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.0 OUTLIER 176.84 -21.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.554 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -98.84 -46.38 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 20.8 m -56.0 -50.78 69.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -68.76 -1.93 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -102.59 -33.39 9.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.597 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.45 -25.19 39.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.97 24.98 2.38 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 30.7 m -116.9 -179.81 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.9 t -126.44 125.63 42.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 57.2 t80 -87.23 121.41 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -84.15 -84.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.51 -22.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -64.11 -42.24 96.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 1.018 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.3 mt -121.22 107.36 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -4.52 15.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.99 -6.01 63.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.935 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -120.96 -175.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.609 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.56 30.81 1.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.485 1.115 . . . . 0.0 108.021 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.612 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 22.0 t -171.53 112.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -149.91 -170.98 3.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 111.073 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.618 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.95 72.36 33.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.661 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -75.09 -97.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.813 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.3 OUTLIER -93.92 32.77 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.618 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.5 mm-40 -53.79 -23.93 13.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.51 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -39.1 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -52.06 -87.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -84.62 11.74 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 14.2 t -105.5 -68.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.51 HG22 ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -47.21 -30.23 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -88.29 58.21 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.477 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 9.4 m-85 -90.59 78.26 6.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.503 HG23 ' N ' ' 2' ' 5' ' ' GLY . 22.4 m -119.51 -51.43 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.995 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -70.56 -1.03 34.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.995 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -130.37 10.98 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.459 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -106.77 -163.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.602 ' HA ' HD23 ' 2' ' 52' ' ' LEU . . . -59.06 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' 2' ' 7' ' ' SER . 9.0 t30 166.29 -30.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.581 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 46.7 tt0 -63.49 -32.51 73.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.96 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 19.4 t -65.03 -7.5 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.09 7.86 34.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.703 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.8 OUTLIER -38.95 158.15 0.11 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.465 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 29.55 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.575 1.829 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.005 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 53.12 70.3 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.94 41.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.703 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 40.0 t0 -162.25 12.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.633 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -92.01 179.41 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.528 HG12 ' O ' ' 2' ' 19' ' ' VAL . 31.4 t -108.52 20.05 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.17 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.638 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 5.1 t -52.58 -35.06 53.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 108.313 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.25 57.94 2.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' SG ' ' 2' ' 21' ' ' CYS . 2.9 m-30 -91.56 148.29 37.06 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.562 0.801 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' HB2' ' NH1' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -123.62 13.38 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.629 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.859 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -43.8 122.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.506 1.129 . . . . 0.0 109.412 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.618 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -165.94 154.15 9.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.396 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.549 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 48.93 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -179.21 -18.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.236 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.618 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.8 OUTLIER -99.35 -44.99 6.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.3 m -55.04 -56.76 16.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -60.2 -14.0 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.62 -30.88 16.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -84.91 -26.6 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.19 21.42 3.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.142 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 95.5 m -114.06 174.89 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.494 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -121.36 125.71 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.4 t80 -91.06 121.55 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.086 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -84.96 -82.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.918 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.59 -24.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -63.38 -41.97 98.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 1.005 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.81 107.8 35.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.51 65.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.832 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -121.21 -175.46 0.35 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.621 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.95 118.87 5.43 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.68 27.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 107.983 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.859 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 36.8 t -171.92 103.45 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.732 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.19 -167.84 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -123.65 65.27 33.31 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.732 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.96 -96.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.96 HD12 ' HB2' ' 2' ' 11' ' ' CYS . 0.0 OUTLIER -105.71 28.74 7.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -45.38 -18.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 12.0 pt-20 -42.23 -23.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.04 -70.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.72 9.85 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.0 t -88.31 -74.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 108.34 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.491 ' H ' ' HA ' ' 2' ' 54' ' ' GLU . 2.6 t -41.73 -36.82 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.649 ' H1 ' HG21 ' 1' ' 4' ' ' VAL . 3.9 tp10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.74 -75.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 110.285 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.408 ' O ' ' OG ' ' 1' ' 7' ' ' SER . 9.2 m-85 -90.06 81.57 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.649 HG21 ' H1 ' ' 1' ' 1' ' ' GLU . 45.4 t -126.18 -50.26 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.793 ' O ' HD13 ' 1' ' 6' ' ' LEU . . . -70.67 0.25 28.49 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.793 HD13 ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -128.06 -0.05 5.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 0.719 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.467 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 5.7 m -111.12 -151.64 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' 1' ' 9' ' ' ASN . . . -38.44 144.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.597 ' HB3' ' O ' ' 1' ' 8' ' ' ALA . 61.9 t30 88.52 -37.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.727 HE22 ' HA ' ' 1' ' 51' ' ' PRO . 0.9 OUTLIER -58.08 -41.07 82.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.796 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 31.4 t -64.08 -8.81 13.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 108.264 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -99.23 20.12 14.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -40.86 168.13 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.408 1.068 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.667 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.2 Cg_endo -74.95 5.0 4.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.928 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 81.51 46.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.445 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 177.66 43.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.537 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 20.0 t70 -151.41 11.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.6 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.4 mtt180 -92.23 -177.08 4.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -114.89 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.43 89.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.26 -33.47 19.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.26 55.78 27.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.4 1.062 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.427 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.51 142.07 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.04 -8.91 20.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -131.68 49.86 2.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.4 p -66.09 121.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.526 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.73 154.02 6.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 57.14 4.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.394 1.734 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.2 tttp -179.16 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.526 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -98.02 -46.23 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.14 -54.83 27.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.7 m120 -64.21 -5.58 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.0 t30 -106.54 -27.09 11.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.498 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.02 -30.5 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.5 22.91 1.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.7 m -120.12 177.15 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.92 128.36 50.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.6 t80 -89.71 120.98 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.3 t0 -75.69 -89.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.3 t 89.61 -22.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -71.24 -45.04 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.83 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.3 OUTLIER -119.68 106.95 41.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.92 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.76 -3.2 64.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.928 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.18 -175.56 0.36 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 122.33 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -94.03 28.43 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.957 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.654 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 31.8 t -167.72 103.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.32 -171.45 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.91 39.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.727 ' HA ' HE22 ' 1' ' 10' ' ' GLN . 18.1 Cg_endo -75.03 -99.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.498 1.789 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.796 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -93.18 34.25 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 40.8 mm-40 -53.22 -21.94 5.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -27.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.68 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.31 25.29 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.6 -71.91 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 10.0 t -59.05 -38.45 79.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' 1' ' 58' ' ' THR . 19.5 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -89.92 69.58 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.457 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 5.4 m-85 -90.56 88.85 7.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.477 HG23 ' N ' ' 2' ' 5' ' ' GLY . 4.4 m -118.66 -50.34 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.922 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -71.23 1.11 28.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.922 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -130.3 7.78 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.469 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -107.99 -162.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.735 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -58.99 84.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 1.161 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 167.11 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.563 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 50.3 tt0 -66.4 -28.9 68.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.764 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 41.2 t -69.72 -3.1 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -114.52 9.87 16.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.892 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.47 164.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.892 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 33.83 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.989 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 43.64 71.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.605 1.191 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 169.52 41.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.489 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 30.0 t70 -156.89 -30.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.655 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -45.28 171.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.6 t -105.29 20.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 30.49 86.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -49.36 -36.04 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 108.366 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.26 60.09 9.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.639 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.74 139.01 24.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.54 14.04 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.605 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.552 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.71 127.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.607 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -167.07 153.81 8.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.458 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.569 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.96 46.98 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -178.95 -15.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.607 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -100.15 -45.21 5.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 62.1 m -55.51 -55.39 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.21 -12.57 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.639 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.37 -26.23 23.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.86 23.07 3.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.9 m -120.27 173.42 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.9 t -114.63 133.58 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 46.5 t80 -89.12 124.01 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -69.08 -97.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.9 t 94.27 -12.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . 0.419 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 10.7 mtp180 -90.07 -57.55 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.989 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.4 mt -107.1 116.37 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.64 21.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -6.24 67.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.941 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.85 171.07 4.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.941 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.432 1.754 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.535 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.19 30.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.63 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 4.8 t -165.9 96.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.44 -172.91 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.508 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.34 69.31 31.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -95.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.401 1.738 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.764 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -100.87 39.93 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 25.1 mm100 -49.68 -18.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' 2' ' 58' ' ' THR . 3.0 mt-10 -41.77 -25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.88 -68.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.7 mt-10 -137.93 21.85 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -99.92 -52.76 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 108.217 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.575 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 6.5 t -70.75 -31.08 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.888 ' O ' HG12 ' 1' ' 4' ' ' VAL . 1.1 tt0 -91.0 81.66 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.538 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 22.5 m-85 -25.56 85.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.888 HG12 ' O ' ' 1' ' 2' ' ' GLU . 6.2 p -139.99 -46.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' 1' ' 10' ' ' GLN . . . -71.62 -2.13 48.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.673 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -131.38 13.76 5.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.442 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 79.2 p -105.01 -170.64 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.724 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -58.92 86.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 164.23 -29.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.746 ' O ' HG13 ' 1' ' 13' ' ' VAL . 48.5 tt0 -63.99 -34.26 77.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.728 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 40.1 t -61.7 -8.05 4.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -107.86 21.94 16.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.836 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.6 OUTLIER -48.78 167.73 0.2 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.698 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.7 Cg_endo -74.85 5.54 3.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.716 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 85.47 57.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.494 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 171.2 44.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.836 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 27.6 t0 -151.55 8.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' NH1' ' CZ ' ' 1' ' 49' ' ' PHE . 3.1 mtt180 -91.4 176.44 6.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.511 HG12 ' O ' ' 1' ' 19' ' ' VAL . 24.3 t -113.69 23.05 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.41 89.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.03 -33.55 18.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.53 57.3 19.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.413 ' O ' HG12 ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -90.34 138.15 27.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -5.45 16.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -123.73 18.36 9.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.621 HG21 ' HE3' ' 1' ' 47' ' ' TRP . 1.2 p -39.99 124.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.721 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.66 153.41 8.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 53.97 3.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.721 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -93.63 -42.65 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 61.0 m -61.18 -56.58 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -65.53 -3.46 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 19.0 t30 -105.46 -28.04 11.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.53 -29.99 23.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.425 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . . . 127.81 22.67 1.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.8 m -118.95 178.27 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -121.01 129.75 53.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 38.4 t80 -81.78 128.92 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.569 ' CB ' ' HA ' ' 1' ' 47' ' ' TRP . 8.0 t70 -63.52 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.0 OUTLIER 89.92 -7.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 3.4 mtp180 -91.14 -60.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.716 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.21 130.8 24.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -11.57 21.59 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.89 65.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.859 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -102.35 169.95 6.96 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.387 0.698 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.859 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 115.87 4.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.621 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -85.62 30.3 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.1 t -171.14 96.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.45 -174.41 3.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 111.05 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.17 70.39 42.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.06 -100.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.728 HD23 ' HB3' ' 1' ' 11' ' ' CYS . 0.4 OUTLIER -93.54 33.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.556 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.6 mm-40 -51.95 -21.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.492 ' O ' HG22 ' 1' ' 58' ' ' THR . 1.0 OUTLIER -41.17 -26.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.43 -72.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -127.29 25.17 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.425 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.4 t -102.61 -61.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.492 HG22 ' O ' ' 1' ' 54' ' ' GLU . 13.5 t -68.84 -35.55 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.965 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' 2' ' 4' ' ' VAL . 19.3 tt0 -90.23 -132.3 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.587 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -67.06 66.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 71.6 t -124.62 -52.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.558 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -71.32 0.93 29.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.602 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -131.75 9.57 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.487 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 16.0 t -106.35 -164.09 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.027 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.71 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -59.16 83.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 169.18 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.558 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 51.7 tt0 -65.26 -29.31 70.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.819 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 41.4 t -68.64 -4.6 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -112.56 10.31 19.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.826 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.5 OUTLIER -41.01 162.52 0.11 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.649 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -74.99 30.33 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.029 ' HB1' HG11 ' 2' ' 45' ' ' VAL . . . 52.36 71.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.11 42.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.826 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 36.5 t0 -159.3 9.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.58 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 8.8 mtt180 -91.09 178.48 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -108.54 18.19 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.365 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 85.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -49.28 -36.75 21.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 108.297 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.89 60.16 8.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -92.13 139.7 24.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.004 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 2.5 t-80 -125.54 13.38 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -38.78 127.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.601 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.29 155.02 6.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.497 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 47.91 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 0.9 OUTLIER -178.72 -16.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.601 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -100.55 -45.95 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.5 m -55.65 -55.73 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 108.241 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.42 -12.33 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -94.78 -29.26 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.238 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.74 -24.62 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.3 22.58 3.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.396 1.06 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.62 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.2 m -120.86 167.59 12.36 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.507 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -111.49 134.82 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 47.6 t80 -97.9 116.07 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.545 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.2 OUTLIER -75.63 -84.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.545 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 88.01 -25.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -66.18 -43.2 87.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.901 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.5 105.48 41.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -3.03 13.32 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.28 -6.67 68.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 1.029 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.73 -176.88 0.44 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.02 119.63 5.72 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.459 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.62 28.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.974 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.639 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 7.4 t -165.62 101.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -142.26 -169.89 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 111.061 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 69.84 31.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.648 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.03 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.819 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -99.71 38.99 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.546 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.0 mm100 -52.04 -17.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.2 pt-20 -43.91 -21.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.27 -66.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' OE1' ' HB1' ' 2' ' 55' ' ' ALA . 14.8 mp0 -139.04 12.69 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -58.24 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . . . . . . . . . 4.5 t -61.44 -34.03 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' 1' ' 2' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' 1' ' 1' ' ' GLU . 0.5 OUTLIER -89.43 -134.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.402 ' H ' ' CG ' ' 1' ' 2' ' ' GLU . 0.1 OUTLIER -91.51 66.02 5.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 93.5 t -128.88 -48.89 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.419 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -70.39 4.09 9.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.787 HD23 ' C ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -145.53 18.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 0.81 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 65.7 p -90.95 164.71 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.812 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -67.43 -6.51 19.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.5 OUTLIER -97.0 -5.44 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.449 ' O ' HG22 ' 1' ' 13' ' ' VAL . 0.0 OUTLIER -65.41 -39.79 92.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.636 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 42.1 t -64.97 -7.86 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -99.32 21.09 12.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -42.85 167.7 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.6 Cg_endo -74.86 2.85 6.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.947 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 83.42 46.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.487 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 174.25 41.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.535 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 31.7 t70 -148.15 12.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.585 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 1.5 mtt180 -91.48 -178.81 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.0 t -112.89 21.28 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.82 89.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.38 -33.33 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.65 56.06 26.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.546 1.153 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -91.21 140.98 25.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 0.73 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.04 -7.08 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 54.5 1.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.377 1.048 . . . . 0.0 109.629 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -70.69 124.4 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.536 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -170.2 154.7 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.382 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.577 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.27 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 16.8 tttt 179.42 -24.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.536 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.4 mp0 -97.66 -47.36 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.2 m -65.36 -54.15 33.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 79.2 m-20 -63.47 -6.97 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -106.58 -26.84 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.494 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -83.64 -29.41 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 126.2 22.99 1.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 67.2 m -120.08 179.05 4.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -123.66 125.25 44.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.5 t80 -83.52 126.65 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 8.5 t70 -70.43 -98.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.2 t 94.19 -13.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -52.83 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.837 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -115.08 109.12 47.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.96 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.23 -1.61 59.35 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.947 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -119.88 -176.51 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.89 121.68 6.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.581 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -95.32 28.24 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.619 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 24.8 t -167.91 100.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 108.321 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.71 -171.63 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.75 69.31 35.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.638 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -74.98 -98.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.812 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER -93.13 33.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.3 mm-40 -53.89 -18.46 3.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.454 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -43.38 -25.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.56 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.7 t -105.52 -51.19 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.5 t -78.99 -43.4 24.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' 1' ' 58' ' ' THR . 65.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.68 -114.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.787 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 0.5 OUTLIER -89.22 71.68 8.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -50.68 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' 2' ' 10' ' ' GLN . . . -71.19 2.05 22.0 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.787 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER -139.23 18.13 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 0.716 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.429 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 3.9 p -105.3 171.53 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.704 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -59.88 86.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.626 1.204 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 169.62 -31.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.078 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' 2' ' 5' ' ' GLY . 0.7 OUTLIER -61.92 -31.84 72.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.643 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 53.2 t -68.96 -5.2 20.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -107.67 11.73 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.929 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.98 164.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.929 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.92 28.72 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.788 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 50.3 74.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.386 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.15 46.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.524 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 10.8 t70 -157.88 -30.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.241 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.0 mtt180 -44.53 172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.4 t -110.23 22.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 32.1 89.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.605 ' N ' ' HZ1' ' 2' ' 50' ' ' LYS . 1.9 t -51.28 -31.97 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.16 51.18 57.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.427 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -87.56 133.6 37.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.31 22.41 7.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.594 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.626 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -45.0 124.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.608 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -167.05 152.39 7.24 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 48.87 2.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.09 -20.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.608 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -96.97 -43.94 7.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.7 m -61.01 -58.01 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 108.353 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.4 m120 -63.82 -5.17 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 18.9 t30 -103.66 -27.32 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.533 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.78 -26.16 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 123.2 21.45 2.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.9 m -118.76 168.59 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 5.3 t -111.94 133.91 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.2 t80 -88.34 126.26 35.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -67.72 -98.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 89.63 -7.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . 0.441 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.1 OUTLIER -91.05 -56.13 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.788 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -120.42 127.07 26.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.65 21.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.95 -8.18 67.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -103.47 170.29 6.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.443 1.76 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.616 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.66 29.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.035 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.5 t -171.01 93.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -132.99 -171.81 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.605 ' HZ1' ' N ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -126.23 69.64 67.93 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -97.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.584 1.833 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -96.49 33.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -46.37 -22.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.83 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.41 -66.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.44 15.86 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.545 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -96.46 -86.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 -179.924 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.8 OUTLIER -37.32 -32.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.0 mp0 -69.74 72.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -56.17 82.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.563 HG23 ' N ' ' 1' ' 5' ' ' GLY . 17.7 m -135.31 -54.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.902 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -58.11 -11.89 10.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.902 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -135.61 26.24 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 0.817 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.88 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 7.6 t -105.9 114.82 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.945 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.694 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . 26.07 -76.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.88 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.7 OUTLIER -37.07 -25.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.67 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.8 OUTLIER -55.37 -45.52 76.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.798 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 19.2 t -63.46 -6.84 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 108.277 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -107.95 16.29 23.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.931 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.2 167.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.97 27.37 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.923 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 52.61 71.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.489 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 166.47 41.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.937 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.627 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 8.7 t70 -159.38 11.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 6.9 mtt180 -91.44 176.26 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.5 t -105.71 20.73 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.75 86.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.02 -35.66 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.92 62.93 2.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.629 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.69 149.87 39.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.95 21.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.06 18.77 10.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.7 p -44.99 121.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.541 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -163.1 154.89 15.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 110.441 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.85 55.59 3.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.56 -21.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.541 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -99.65 -43.59 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.604 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.4 m -56.42 -52.32 65.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m120 -68.55 -2.27 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 20.6 t30 -104.92 -29.04 10.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.629 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.35 -24.69 29.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.486 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.64 24.36 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.0 m -117.83 179.63 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.21 126.13 44.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 45.5 t80 -88.94 121.32 31.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.533 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.81 -84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.533 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.83 -23.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 0.6 OUTLIER -64.96 -43.86 91.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.938 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.875 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -120.64 106.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.43 -6.4 66.22 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.923 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -121.64 -175.42 0.35 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 0.71 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.507 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.32 28.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.728 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 19.6 t -169.48 108.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.63 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.55 -170.38 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.923 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.658 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.07 69.77 29.31 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.67 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.4 Cg_endo -74.95 -99.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.798 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -89.89 32.55 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm100 -54.38 -20.85 8.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 3.6 pt-20 -41.53 -26.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.2 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.32 25.33 7.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 5.0 t -105.99 -55.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.9 OUTLIER -90.27 -31.03 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.916 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.37 -116.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.438 ' O ' ' CB ' ' 2' ' 7' ' ' SER . 0.8 OUTLIER -91.28 79.63 5.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.626 HG13 ' H ' ' 2' ' 5' ' ' GLY . 2.4 p -135.83 -60.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.626 ' H ' HG13 ' 2' ' 4' ' ' VAL . . . -67.2 2.92 4.76 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.515 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -153.68 23.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 0.763 . . . . 0.0 109.248 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.456 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 10.4 t -108.23 149.37 28.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.717 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -58.15 86.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.18 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.2 OUTLIER 168.85 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.49 ' OE1' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.08 -28.92 69.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.665 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 51.0 t -74.55 -3.11 29.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.571 1.169 . . . . 0.0 108.24 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.83 11.21 14.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.944 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -45.03 167.76 0.1 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.91 28.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.989 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 47.81 63.37 2.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.06 35.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 7.5 t70 -157.51 13.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.537 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 12.4 mtt180 -87.41 173.82 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.578 HG12 ' O ' ' 2' ' 19' ' ' VAL . 51.2 t -103.41 19.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 30.56 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.47 -34.49 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.54 59.35 6.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -91.21 144.15 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.086 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.7 Cg_endo -74.89 -3.89 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.408 1.741 . . . . 0.0 111.048 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.4 OUTLIER -124.07 11.37 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.532 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.75 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -38.93 121.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.625 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.09 158.96 10.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.05 48.96 2.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.21 -16.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.625 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.9 OUTLIER -98.67 -45.74 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 93.2 m -54.82 -56.43 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.88 -11.33 12.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.14 -35.83 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.7 -25.58 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.2 26.64 2.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 49.1 m -119.62 169.6 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.5 t -113.57 133.15 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 54.1 t80 -95.61 116.62 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.44 -84.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.29 -23.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -65.68 -41.54 92.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.989 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.3 mt -120.72 106.88 39.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.1 -6.0 65.36 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.91 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -120.65 -176.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.589 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 120.11 5.92 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.491 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.9 28.12 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.75 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t -167.45 110.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 108.336 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.604 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -150.15 -171.06 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.44 72.32 38.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -96.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -101.48 39.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.496 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 31.6 mm-40 -51.94 -19.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.99 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.17 -65.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -143.81 20.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -100.12 -55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.532 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 4.5 t -66.39 -44.03 84.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.818 ' O ' HG23 ' 1' ' 4' ' ' VAL . 2.6 mm-40 -92.22 91.59 7.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.506 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 14.6 m-85 -29.02 85.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.818 HG23 ' O ' ' 1' ' 2' ' ' GLU . 73.0 t -137.61 -48.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' 1' ' 10' ' ' GLN . . . -64.33 -9.47 36.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.484 ' N ' HD23 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -118.95 8.38 11.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.562 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 0.8 OUTLIER -107.95 -154.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.939 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.689 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -54.9 82.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.642 1.214 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 163.36 -30.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.589 1.18 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.614 ' CD ' ' HA ' ' 1' ' 51' ' ' PRO . 0.9 OUTLIER -65.2 -26.84 68.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.799 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 46.8 t -74.0 -2.85 25.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 108.272 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -114.07 9.33 17.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.912 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.76 167.61 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 27.98 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.021 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 49.13 65.65 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.15 36.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.489 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 34.4 t0 -159.34 15.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.598 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.5 mtt180 -89.85 172.21 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.1 t -101.68 18.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.85 87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.221 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -49.59 -37.11 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.273 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.38 63.11 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.47 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 110.974 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.06 19.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.9 OUTLIER -124.23 16.59 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.633 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.546 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -39.05 127.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.706 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.35 153.75 7.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.377 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -179.91 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.706 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -95.91 -44.79 7.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 31.2 m -56.31 -51.1 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.303 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.91 -1.24 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 48.6 t30 -106.32 -29.44 9.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.607 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.1 -24.36 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.485 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.16 26.35 2.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 13.7 m -119.95 -177.99 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.1 t -128.31 125.11 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 108.333 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.5 t80 -88.95 119.49 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.4 t70 -89.28 -82.62 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 86.69 -16.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.975 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.52 -42.76 99.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.958 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.9 110.05 33.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.09 -6.33 63.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.021 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.71 -176.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.577 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.12 117.39 4.87 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.429 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -91.88 27.65 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.963 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 42.1 t -169.01 109.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.626 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.96 -170.82 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.643 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -118.6 71.58 9.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.633 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -75.0 -97.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.799 HD23 ' HB3' ' 1' ' 11' ' ' CYS . 0.6 OUTLIER -92.65 33.04 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.643 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.02 -25.4 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -36.39 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.91 -64.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.29 14.03 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' 1' ' 53' ' ' GLN . 0.5 OUTLIER -94.0 -88.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.357 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 2.9 t -41.02 -43.83 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' 1' ' 58' ' ' THR . 31.2 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' 2' ' 3' ' ' TYR . 11.7 pm0 -89.94 -128.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.517 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 10.2 p90 -91.41 68.61 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.462 HG23 ' N ' ' 2' ' 5' ' ' GLY . 16.4 m -123.65 -53.58 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.462 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -70.7 1.95 19.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.569 ' C ' HD22 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -135.07 17.94 3.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 36.8 p -87.21 -178.89 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.053 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.725 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -71.15 -8.28 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.08 -8.29 40.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.629 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 1.5 pt20 -65.57 -38.5 89.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.218 -179.889 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.801 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 21.0 t -65.45 -7.0 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.292 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -106.22 16.19 25.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.919 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.31 167.19 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.374 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.919 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 27.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.899 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 50.82 72.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 165.65 41.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.603 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 18.3 t0 -160.65 12.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.568 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 6.4 mtt180 -91.06 176.78 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 24.5 t -106.55 20.92 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 30.25 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.61 -35.99 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.92 59.21 8.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.55 140.79 25.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.06 -4.83 15.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -123.63 12.99 9.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.619 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.56 125.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.801 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.03 155.55 12.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 47.2 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.439 1.757 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 2.8 tttt -179.49 -20.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.801 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -94.13 -45.22 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.225 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.0 m -54.67 -56.32 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.13 -14.17 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -90.21 -32.5 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.45 -25.1 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.462 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.76 23.88 3.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.9 m -118.92 173.92 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.53 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.9 t -117.62 130.94 56.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.2 t80 -94.55 119.88 33.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.574 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.89 -83.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.574 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.33 -24.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -64.12 -43.89 93.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -120.45 106.59 40.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -2.91 13.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.17 -7.21 65.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.782 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.34 -176.35 0.41 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 118.89 5.43 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.506 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.29 28.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.67 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 11.5 t -167.45 105.22 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.45 -169.61 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.89 69.81 37.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.661 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.5 Cg_endo -75.0 -99.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.801 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -92.64 34.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 27.2 mm100 -50.55 -19.37 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -39.61 -26.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.43 -60.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.482 ' OE2' HG11 ' 1' ' 19' ' ' VAL . 3.7 tt0 -142.93 17.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.3 OUTLIER -95.99 -51.42 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 4.7 t -67.76 -45.53 74.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.192 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -86.76 -122.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.501 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 3.6 p90 -91.89 72.23 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 97.9 t -127.75 -60.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.475 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -67.54 3.27 4.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.813 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -149.49 29.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -102.99 164.41 11.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.078 179.916 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.761 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -67.1 -5.4 13.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.369 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -7.55 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.544 ' HB2' ' O ' ' 1' ' 7' ' ' SER . 0.0 OUTLIER -64.39 -42.29 96.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.365 179.949 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.606 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 46.0 t -74.98 0.64 15.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 108.349 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -107.88 7.54 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 1.013 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.18 161.76 0.12 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 1.013 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 28.72 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.89 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 49.22 75.91 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 161.64 48.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.459 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 37.0 t0 -162.36 -27.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.632 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -48.21 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -111.19 21.84 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.41 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.637 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.4 t -46.53 -36.23 6.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.58 60.6 8.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.81 138.72 24.79 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.45 0.735 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.01 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -122.82 15.55 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.584 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -38.67 129.41 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.552 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -168.78 152.15 5.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.427 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 53.59 3.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 tptt 176.7 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.552 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -99.99 -45.05 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.6 m -56.06 -52.8 62.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.484 1.115 . . . . 0.0 108.316 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -67.26 -4.31 10.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 33.3 t-20 -105.17 -25.47 12.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.631 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.1 23.61 2.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 58.4 m -120.55 -175.98 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.2 t -126.5 128.09 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 41.0 t80 -82.01 128.87 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 7.7 t70 -71.28 -98.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.2 t 91.89 -9.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.157 . . . . 0.0 110.057 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.43 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 5.3 mtp180 -90.32 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.89 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -116.84 122.09 31.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -11.96 21.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.36 65.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -104.65 170.32 6.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.567 ' HA ' ' CB ' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.74 29.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.637 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.3 t -166.57 94.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.04 -176.74 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.609 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.46 71.36 13.18 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -75.01 -97.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.761 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.609 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.8 mm100 -52.13 -21.77 3.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.2 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.234 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.96 -67.93 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -133.38 24.21 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 2.5 t -105.78 -49.25 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.532 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.9 t -82.34 -45.66 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' 1' ' 58' ' ' THR . 60.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . 0.439 ' HB3' ' CG2' ' 2' ' 4' ' ' VAL . 6.7 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.483 ' HG2' ' CD2' ' 2' ' 3' ' ' TYR . 1.3 tp10 -89.65 -136.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.769 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 9.0 p90 -68.1 63.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.541 HG23 ' N ' ' 2' ' 5' ' ' GLY . 35.5 m -118.72 -54.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.541 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -72.3 4.19 20.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.769 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 2.2 pp -128.82 4.23 5.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 40.9 p -75.22 -177.15 3.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.925 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.754 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -73.95 -4.0 32.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 0.3 OUTLIER -100.71 -5.24 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 109.35 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.559 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -64.99 -39.69 93.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.369 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.678 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.7 t -63.74 -8.68 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -99.87 15.01 28.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.921 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.06 166.31 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.92 27.01 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.041 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 48.61 66.16 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.1 OUTLIER 176.7 37.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -161.07 15.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.8 mtt180 -91.05 172.03 8.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.2 t -98.38 17.2 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.5 t0 32.26 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 0.5 OUTLIER -49.39 -36.03 20.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 179.926 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.34 59.62 0.79 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.792 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.8 m-85 -90.6 158.85 42.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.596 0.821 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -11.18 21.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.4 OUTLIER -116.58 5.99 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.551 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.3 p -39.69 112.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.54 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.39 164.23 10.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.8 2.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -19.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.54 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -98.17 -44.75 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 95.6 m -54.42 -56.7 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.27 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -63.81 -9.52 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.26 -37.44 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.471 ' HD3' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.75 -28.54 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.511 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 120.41 27.41 1.99 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 67.6 m -112.51 173.07 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.6 t -117.6 125.02 50.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 78.7 t80 -92.79 119.17 31.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.9 t70 -87.4 -83.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 88.22 -15.74 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -64.77 -40.77 95.81 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.933 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -122.07 109.62 33.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -5.38 16.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.3 -6.81 62.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 1.041 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.4 m -120.96 -177.96 0.54 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.64 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.426 ' NE1' ' HA ' ' 2' ' 43' ' ' PRO . 0.0 OUTLIER -90.46 29.4 1.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.88 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 25.3 t -170.21 111.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -149.91 -168.01 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.79 70.6 48.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.88 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -94.7 36.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.2 mm100 -51.77 -19.56 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 11.9 pt-20 -41.44 -23.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.51 -60.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.38 17.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -95.94 -51.46 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.9 t -70.86 -33.46 70.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 1.9 tt0 -88.32 74.95 8.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.562 ' N ' ' CD1' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -64.11 70.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.517 ' HA ' ' HG ' ' 1' ' 7' ' ' SER . 58.8 t -119.86 -62.05 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' 1' ' 10' ' ' GLN . . . -73.39 10.99 5.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -144.49 14.17 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 0.737 . . . . 0.0 109.239 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.517 ' HG ' ' HA ' ' 1' ' 4' ' ' VAL . 23.7 p -108.76 174.51 5.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.746 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -63.5 84.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.1 OUTLIER 170.87 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.515 ' O ' HG13 ' 1' ' 13' ' ' VAL . 0.5 OUTLIER -58.68 -33.84 70.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.25 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.645 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 53.6 t -63.49 -7.53 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 108.364 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -105.45 21.38 17.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.392 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.544 HG23 ' HE ' ' 1' ' 18' ' ' ARG . 0.0 OUTLIER -42.99 167.21 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.69 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 4.34 4.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.699 ' HB1' HD12 ' 1' ' 42' ' ' ILE . . . 83.5 50.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.473 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 173.95 44.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.543 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 49.9 t0 -152.36 11.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 5.4 mtt180 -92.08 173.12 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.3 20.79 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.45 86.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.558 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -46.94 -34.08 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.354 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.6 60.87 5.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.646 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.34 143.44 27.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -7.74 19.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.24 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.586 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.6 p -40.03 125.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.545 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.08 155.47 7.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 54.02 3.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.512 1.796 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 109.345 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.545 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -99.15 -44.62 6.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.2 m -55.51 -52.45 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.397 1.061 . . . . 0.0 108.246 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -68.43 -2.38 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -101.68 -32.54 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.646 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.04 -23.97 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.41 25.22 2.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -116.62 178.99 4.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -124.15 125.65 44.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 57.9 t80 -90.11 121.84 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.5 t70 -89.88 -82.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.9 OUTLIER 89.87 -20.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.409 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 7.1 mtp180 -51.68 -55.91 16.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.699 HD12 ' HB1' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -115.65 126.57 27.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.29 21.44 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.66 -8.14 62.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.82 169.4 6.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 0.746 . . . . 0.0 109.313 -179.929 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.08 110.35 3.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.439 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.89 30.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.586 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 12.2 t -168.56 102.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 108.334 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -144.83 -172.06 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 111.048 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.35 71.97 26.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.65 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -98.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.436 1.756 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.746 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.6 OUTLIER -93.74 32.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.6 mm-40 -51.4 -19.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.212 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.09 -27.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.56 -74.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.21 24.14 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.2 t -105.54 -53.07 2.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.235 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.447 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -82.8 -33.41 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.472 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 50.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.58 -127.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' 2' ' 7' ' ' SER . 4.2 p90 -90.52 77.18 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.529 HG23 ' H ' ' 2' ' 5' ' ' GLY . 16.4 m -131.87 -57.08 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.712 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -69.42 5.53 5.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.713 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -154.0 21.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 179.915 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' 2' ' 3' ' ' TYR . 2.4 t -108.63 149.57 28.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.581 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -60.8 86.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.36 -26.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.077 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.519 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 0.3 OUTLIER -59.32 -30.45 68.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.98 ' HB2' HD23 ' 2' ' 52' ' ' LEU . 2.5 m -64.85 -9.55 21.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 108.284 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.46 18.42 14.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.935 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -44.62 167.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.935 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.5 Cg_endo -74.91 27.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.01 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 45.22 63.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 176.53 36.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -160.68 15.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.679 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.4 mtt180 -89.13 -179.99 6.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.5 t -112.09 19.84 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.41 90.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.92 -33.33 56.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.44 50.85 58.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -84.09 138.26 39.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -7.12 18.84 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -121.41 19.27 11.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.639 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.674 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.4 p -38.41 118.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.592 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -166.75 151.63 7.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.11 50.12 2.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.579 1.831 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.6 tttt -174.83 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.592 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -96.65 -43.21 7.66 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.7 m -61.96 -56.1 22.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -64.6 -5.28 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 17.6 t30 -102.97 -29.41 11.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.472 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.49 -32.63 19.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.541 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 130.69 22.4 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.6 m -123.1 161.67 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.669 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 34.3 t80 -89.38 120.58 30.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -80.02 -84.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.15 -22.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -67.39 -41.04 85.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 1.01 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.3 mt -120.76 106.72 39.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -4.89 16.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.85 65.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.875 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.7 -175.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.674 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.42 26.47 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.644 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 17.2 t -169.84 101.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.703 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.67 -168.51 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 67.54 60.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.836 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.94 -97.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.98 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -95.23 36.35 1.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.594 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -44.58 -23.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.571 ' HG3' HD12 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -36.5 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.09 -64.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.63 13.62 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.51 -56.63 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.475 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 13.7 t -69.99 -41.14 74.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.442 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.475 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.594 1.184 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' 1' ' 2' ' ' GLU . 2.9 pt-20 -89.71 80.83 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' 1' ' 7' ' ' SER . 2.5 m-85 -65.68 66.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 67.0 t -127.09 -56.15 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 10' ' ' GLN . . . -70.27 1.2 20.38 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.76 15.03 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.502 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 7.6 t -108.01 -159.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.715 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -59.16 82.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 166.44 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.625 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 1.6 tt0 -60.6 -33.04 72.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.703 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 43.0 t -66.51 -5.77 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 108.249 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -105.92 11.2 32.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.826 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.5 OUTLIER -46.94 164.39 0.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.92 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.826 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.94 28.21 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.035 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 49.14 62.67 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' 1' ' 14' ' ' PRO . 0.0 OUTLIER -177.52 34.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.478 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 31.4 t0 -159.44 16.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.82 170.63 9.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.196 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.623 HG12 ' O ' ' 1' ' 19' ' ' VAL . 89.3 t -99.6 18.48 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 31.8 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.55 -34.12 48.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.254 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.18 60.22 2.0 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.658 ' CE2' ' HD3' ' 1' ' 34' ' ' ARG . 1.2 m-85 -91.92 156.55 42.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.791 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 1.3 m170 -109.81 9.78 24.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.618 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.834 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -38.2 114.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.631 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -166.76 155.33 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.608 ' HB3' ' CD1' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 55.19 3.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.75 -24.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.631 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.7 OUTLIER -97.05 -40.6 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.6 m -61.39 -54.45 43.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.355 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.7 m120 -70.52 4.15 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 26.2 t30 -107.35 -32.04 7.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.658 ' HD3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -88.66 -33.15 17.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 133.89 24.17 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.472 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . 60.8 m -116.6 166.81 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.527 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 1.9 t -116.3 123.38 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' HB3' ' 1' ' 28' ' ' PRO . 36.1 t80 -93.22 121.27 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.6 t70 -86.55 -82.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 87.94 -16.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -63.28 -42.84 99.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.974 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -121.78 111.82 32.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -4.42 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.624 1.855 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.47 -6.3 61.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.035 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.4 m -120.04 -178.05 0.53 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.649 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 115.99 4.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.14 28.5 1.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 108.016 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.834 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 38.8 t -171.44 110.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.0 -169.07 3.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.15 70.51 21.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.633 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -101.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -91.94 35.49 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm-40 -55.0 -26.43 36.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.282 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -38.9 -29.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.93 -62.01 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.27 15.7 7.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -91.34 -81.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.503 ' CB ' ' HG3' ' 2' ' 54' ' ' GLU . 1.1 t -53.85 -34.22 58.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 44.4 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' 2' ' 4' ' ' VAL . 0.5 OUTLIER -90.44 -134.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.759 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -63.9 71.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.395 1.06 . . . . 0.0 110.962 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 77.8 t -127.43 -53.24 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.556 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -70.11 -1.33 33.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.766 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -131.08 9.56 4.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.459 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -105.88 -164.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.92 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.742 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -57.62 86.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' 2' ' 7' ' ' SER . 6.4 t30 165.25 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.556 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 37.3 tt0 -64.28 -32.54 74.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.749 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 52.2 t -67.15 -2.35 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -119.18 10.64 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.922 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -41.38 166.83 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.922 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 27.52 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.563 1.823 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.92 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 49.6 71.2 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.453 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 167.86 41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.457 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 18.3 t70 -163.57 13.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 16.8 mtt180 -91.09 169.4 10.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.5 t -95.31 15.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.389 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.63 80.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.698 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 5.6 t -44.31 -39.58 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.15 61.4 2.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.704 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -91.55 153.28 44.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -5.62 17.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -124.54 8.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.549 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.844 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -38.17 116.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.98 162.57 9.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.43 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.476 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.04 49.47 2.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.1 OUTLIER -179.28 -18.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.148 . . . . 0.0 109.362 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -99.13 -44.83 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.9 m -56.36 -57.48 12.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 108.278 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -60.32 -13.14 11.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.221 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.5 t30 -89.62 -34.17 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.436 ' HA ' ' OH ' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.25 -25.87 29.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 116.86 25.02 3.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.6 m -115.43 170.07 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.3 t -114.58 128.33 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.323 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 73.0 t80 -94.62 117.36 30.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.9 t70 -84.47 -82.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 2.1 t 88.03 -15.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -42.67 96.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.92 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.96 110.98 32.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -5.84 17.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.572 1.827 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.42 -5.96 64.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.567 1.167 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.747 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.5 m -121.34 -178.54 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.639 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.9 117.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.58 1.832 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -92.65 29.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 107.949 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.844 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 22.1 t -169.99 106.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 108.333 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -147.54 -168.56 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -119.7 70.13 13.11 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.688 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.04 -96.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.749 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -101.47 41.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.547 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 19.5 mm100 -49.14 -18.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.36 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.903 ' O ' HG22 ' 2' ' 58' ' ' THR . 8.4 mt-10 -43.34 -23.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -39.61 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -113.9 13.78 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -91.57 -68.99 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.903 HG22 ' O ' ' 2' ' 54' ' ' GLU . 15.0 t -53.08 -31.25 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -67.25 68.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' 1' ' 1' ' ' GLU . 18.4 m-85 -76.25 91.23 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.717 HG23 ' H ' ' 1' ' 5' ' ' GLY . 6.0 m -130.28 -63.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.717 ' H ' HG23 ' 1' ' 4' ' ' VAL . . . -66.22 1.72 4.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.132 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.817 HD23 HG23 ' 2' ' 58' ' ' THR . 0.1 OUTLIER -153.86 33.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 -179.945 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -87.97 179.79 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 109.972 -179.92 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.722 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -66.78 -9.55 38.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.69 -6.05 44.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.475 ' OE1' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -66.82 -34.75 78.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.733 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 44.9 t -74.56 -1.25 20.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -111.16 10.28 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.954 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -40.1 160.97 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.92 29.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.933 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 49.7 74.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.9 50.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.467 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 14.5 t70 -165.95 -25.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -50.38 174.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.84 18.3 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.9 OUTLIER 34.73 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.47 -32.63 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.89 59.2 4.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.673 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -90.87 143.52 28.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 18.6 Cg_endo -74.94 -8.99 20.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -120.3 15.39 12.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.622 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -41.53 126.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.542 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.94 153.73 8.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 53.13 3.26 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.46 -17.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.542 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -101.11 -44.98 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.578 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 48.3 m -55.68 -51.26 67.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -69.15 -2.14 9.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.6 t30 -105.02 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.673 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.41 -24.28 29.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.26 24.87 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -119.12 -179.61 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -125.69 125.49 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 59.0 t80 -92.41 120.22 32.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.7 t70 -89.31 -81.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.02 -17.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.658 1.224 . . . . 0.0 109.962 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.54 -45.29 94.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.933 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -119.04 118.81 32.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.22 21.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.69 -10.15 63.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.817 HG22 ' CD ' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -109.16 173.0 3.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.517 0.775 . . . . 0.0 109.244 -179.923 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.817 ' CD ' HG22 ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -88.51 29.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 108.024 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.63 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 19.3 t -169.35 106.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.46 -170.54 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.64 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 71.69 23.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.05 -96.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.733 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -93.09 32.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.64 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.0 mm100 -51.77 -20.57 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.551 ' HG2' HG22 ' 1' ' 58' ' ' THR . 2.2 tm-20 -39.02 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.17 -65.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.03 25.83 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -63.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.322 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.551 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -66.92 -42.26 85.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.462 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -76.5 -119.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.66 62.87 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.535 HG23 ' N ' ' 2' ' 5' ' ' GLY . 33.4 m -119.65 -53.27 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.359 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.643 ' C ' HD23 ' 2' ' 6' ' ' LEU . . . -71.79 5.23 12.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.877 ' N ' HD23 ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -131.28 -2.34 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' 2' ' 10' ' ' GLN . 39.1 p -107.99 -160.64 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.761 ' O ' ' CB ' ' 2' ' 9' ' ' ASN . . . -56.11 125.6 22.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.761 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 21.2 t-20 114.0 -30.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.516 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -57.36 -39.42 75.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.845 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 24.9 t -62.73 -6.47 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -98.93 14.07 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.926 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -41.11 160.55 0.14 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.926 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.02 29.27 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.917 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 49.75 75.42 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 162.99 49.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.07 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.493 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 11.4 t70 -165.08 -26.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.667 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 14.7 mtt180 -47.9 178.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.516 HG12 ' O ' ' 2' ' 19' ' ' VAL . 23.4 t -115.29 21.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.15 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.555 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 56.53 23.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.55 141.25 27.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.39 21.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.532 1.806 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.45 31.43 5.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.699 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.1 p -51.43 120.01 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.593 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -168.72 154.97 6.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 50.8 2.63 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -174.26 -22.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.593 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -99.04 -45.6 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 12.6 m -62.95 -54.31 40.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -65.96 -4.65 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 16.9 t30 -104.3 -29.4 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.461 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.14 -34.01 19.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 130.52 26.48 0.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.5 m -120.8 170.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 2.2 t -117.74 127.31 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.362 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.6 t80 -98.55 117.33 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.3 t70 -84.66 -80.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 87.97 -18.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -58.27 -50.73 72.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.755 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -116.66 124.39 29.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -14.76 21.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.0 67.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.917 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -106.21 169.96 6.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.894 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.05 115.81 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.547 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.01 28.51 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 108.036 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.699 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 19.3 t -171.03 102.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.355 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.682 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.84 -172.98 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.945 -179.908 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -120.87 68.48 16.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.98 -109.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.761 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.96 HD22 ' O ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.13 38.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 39.6 mm-40 -50.6 -20.88 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -40.85 -23.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.61 -66.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -140.24 15.57 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.43 -56.94 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.817 HG23 HD23 ' 1' ' 6' ' ' LEU . 6.4 t -66.37 -42.28 88.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 11.6 pm0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.8 41.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -89.37 81.44 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.01 -52.01 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.587 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -69.81 -1.58 32.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.669 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -131.11 13.24 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.538 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 98.6 p -107.0 -167.65 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -55.53 83.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 169.04 -33.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.587 ' NE2' ' O ' ' 1' ' 5' ' ' GLY . 49.1 tt0 -64.35 -31.73 73.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.811 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 40.4 t -66.28 -5.52 10.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 108.249 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -109.92 12.71 23.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.908 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -40.17 162.53 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.908 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 29.1 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.971 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 49.81 73.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.4 50.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.239 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.474 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 22.2 t0 -165.71 -27.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.9 mtt180 -49.04 175.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.651 HG12 ' O ' ' 1' ' 19' ' ' VAL . 84.2 t -108.06 17.89 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 34.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.06 -36.58 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.275 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.01 61.65 5.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.622 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.46 141.28 24.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.933 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.75 14.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 17.91 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.576 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -41.75 128.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.693 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.88 153.68 8.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 52.4 3.04 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.92 -20.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.693 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -96.6 -44.08 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.341 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.9 m -56.47 -51.3 68.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 0.0 108.252 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -68.75 -2.77 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.7 t-20 -104.53 -28.62 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.11 -24.84 30.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.4 25.12 2.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 28.2 m -120.49 -179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -125.57 125.27 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 108.282 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.7 t80 -91.38 121.36 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 18.7 t70 -90.32 -82.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -17.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.971 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.65 119.0 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.421 1.748 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.62 -9.84 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.806 HG22 ' CD ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER -109.59 172.93 3.23 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.806 ' CD ' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.453 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -88.88 30.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 107.977 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.2 t -169.85 103.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -144.73 -170.95 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.94 70.38 14.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -92.78 32.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.639 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.4 mm-40 -54.74 -20.78 9.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.8 -26.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.16 -70.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -128.36 23.93 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.5 t -104.23 -55.28 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.424 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.1 t -86.54 -37.62 18.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' 2' ' 2' ' ' GLU . 2.0 pt-20 -90.01 72.63 7.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.414 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -91.78 72.44 5.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.941 -179.93 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.642 HG23 ' H ' ' 2' ' 5' ' ' GLY . 11.2 m -130.21 -60.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.891 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -67.62 6.0 2.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.891 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -155.93 32.11 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 0.798 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 0.1 OUTLIER -105.29 175.83 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.663 ' HA ' HD23 ' 2' ' 52' ' ' LEU . . . -70.41 -3.87 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.403 ' OD1' ' HB3' ' 2' ' 12' ' ' ALA . 58.1 t30 -102.08 0.43 34.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -64.23 -43.02 96.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.929 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 46.4 t -70.93 -2.09 14.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -108.44 18.5 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.522 HG13 ' O ' ' 2' ' 10' ' ' GLN . 0.0 OUTLIER -43.33 165.81 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.723 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 2.21 6.89 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.574 1.829 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' 2' ' 14' ' ' PRO . . . 86.65 49.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.486 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER 174.86 45.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 52.9 t0 -153.82 11.53 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.684 ' NH1' ' CZ ' ' 2' ' 49' ' ' PHE . 6.2 mtt180 -91.09 177.89 6.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 17.5 t -112.97 24.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.092 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.91 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.8 t -48.77 -34.86 13.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 57.02 21.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -90.13 138.1 27.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.09 -4.87 16.02 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.493 1.786 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 19.95 9.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.66 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.7 p -41.79 122.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.6 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.08 154.8 6.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 48.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttp -176.22 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.6 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mp0 -99.92 -43.99 6.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 80.6 m -61.75 -57.17 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.336 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -65.56 -3.32 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -103.63 -29.68 10.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.478 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.86 -31.99 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 129.01 24.56 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.1 m -120.6 169.47 10.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -111.87 133.69 53.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.271 -179.925 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.5 t80 -88.62 124.24 33.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -61.52 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 2.0 t 90.46 -8.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . 0.411 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 3.5 mtp180 -91.41 -58.09 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.634 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -119.63 125.99 27.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.22 19.96 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.07 -7.71 60.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -103.76 172.51 4.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.804 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.66 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.96 31.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 108.045 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.2 t -173.72 96.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.203 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.702 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -135.85 -175.97 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -122.75 69.5 35.51 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.697 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.95 -100.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.929 HD12 ' HB2' ' 2' ' 11' ' ' CYS . 0.0 OUTLIER -99.6 36.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 37.4 mm-40 -47.26 -22.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.2 OUTLIER -35.8 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.49 -61.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 15.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.485 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -89.93 -58.52 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.431 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 6.8 t -71.16 -36.51 72.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 4.6 tt0 -91.37 83.31 5.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.79 71.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 97.7 t -131.01 -53.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.925 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -60.25 -11.59 20.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.925 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -135.03 29.23 3.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.673 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 1.1 p -111.07 151.05 28.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.759 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . 33.91 -87.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.673 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.4 OUTLIER -39.83 -24.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.742 ' HB2' ' HA ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -54.88 -50.42 68.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.797 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 14.4 t -64.9 -4.31 4.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 108.35 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -104.1 21.36 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.612 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -42.64 167.64 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.665 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.91 5.82 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.066 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 81.59 46.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.448 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER -179.87 44.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.914 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.612 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 29.5 t70 -154.69 11.35 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 4.8 mtt180 -92.18 175.06 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -107.99 20.72 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.78 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -53.24 -34.5 57.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.382 1.051 . . . . 0.0 108.291 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.69 54.62 35.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.22 139.37 27.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.949 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.93 -6.85 18.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -128.6 37.83 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -56.15 120.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.435 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.1 152.97 6.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.05 58.58 4.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.4 ttmt 178.92 -25.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.5 mt-10 -98.62 -45.62 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -63.4 -54.86 30.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m120 -64.9 -5.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -106.11 -27.26 11.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.62 -30.18 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.99 23.33 1.31 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.3 m -120.28 177.25 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.546 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -123.36 127.81 49.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.203 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 47.1 t80 -91.58 120.52 32.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.585 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -81.95 -83.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 85.03 -23.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.932 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -64.58 -43.42 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.876 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.01 109.85 35.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.082 . . . . 0.0 109.251 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.53 -3.45 62.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.066 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -120.47 -176.99 0.43 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.602 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.24 5.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.562 1.822 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.541 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.12 25.97 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.665 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 37.1 t -168.62 104.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.266 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.6 -171.16 3.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.614 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.19 69.33 29.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.644 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -75.04 -104.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.442 1.759 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.797 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -86.48 31.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.614 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 35.1 mm-40 -51.73 -18.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.457 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.57 -25.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.91 -67.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -131.24 23.65 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.0 t -103.82 -53.51 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.457 HG22 ' O ' ' 1' ' 54' ' ' GLU . 3.0 t -68.35 -42.7 78.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.564 ' O ' HD11 ' 2' ' 6' ' ' LEU . 45.2 mt-10 -90.24 71.45 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.7 63.38 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -121.45 -56.47 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.412 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -70.37 5.77 6.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.085 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.709 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -144.61 25.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -100.78 171.2 7.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.699 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -72.28 -4.35 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.47 -6.7 36.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.412 ' HG3' ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -67.05 -34.58 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.76 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 41.5 t -73.77 -0.51 15.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 108.362 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' 2' ' 13' ' ' VAL . . . -108.29 10.29 27.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.836 HG13 ' HD2' ' 2' ' 14' ' ' PRO . 1.3 t -38.11 152.02 0.16 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.836 ' HD2' HG13 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 38.92 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.893 ' HB1' HG11 ' 2' ' 45' ' ' VAL . . . 47.61 65.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.25 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.511 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 19.3 t0 -161.85 11.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 2.9 mtt180 -92.15 176.37 6.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.575 HG12 ' O ' ' 2' ' 19' ' ' VAL . 47.2 t -108.36 18.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 34.02 89.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.88 -33.36 61.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.18 56.92 18.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.45 141.6 27.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 111.016 179.923 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.06 -8.08 19.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.58 32.11 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.746 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.3 p -51.91 117.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.31 155.6 8.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.8 2.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 3.3 ttpt -174.38 -23.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -98.1 -45.98 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.325 179.927 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.8 m -63.31 -56.84 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 108.31 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.68 -6.71 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.8 t30 -103.72 -27.75 12.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.2 -25.88 21.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.501 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.67 22.56 2.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.0 m -120.3 166.57 13.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.486 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 2.8 t -114.64 126.29 54.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 52.3 t80 -92.31 119.97 32.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.8 t70 -85.3 -82.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 85.33 -13.04 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -44.31 80.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.856 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.1 mt -122.51 111.28 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.433 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -4.29 15.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.458 1.767 . . . . 0.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.6 -6.39 64.11 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.893 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -122.13 -176.46 0.42 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.617 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.507 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -93.21 28.13 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.746 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 48.9 t -169.2 110.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.629 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -147.22 -167.71 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.3 70.16 42.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.629 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.97 -94.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.76 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -98.91 38.17 1.42 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -50.78 -19.52 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.577 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.8 OUTLIER -41.35 -24.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -27.96 -72.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -135.02 10.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.1 -59.04 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.5 t -48.77 -40.98 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 51' ' ' PRO . 5.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.28 59.13 4.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.549 ' CE2' ' HB2' ' 1' ' 1' ' ' GLU . 0.4 OUTLIER -92.0 101.09 13.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.5 HG23 ' N ' ' 1' ' 5' ' ' GLY . 33.1 m -113.22 -52.01 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.954 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -70.97 1.9 21.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.954 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -131.88 13.52 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.74 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.485 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 39.3 p -106.55 -169.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.945 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -57.25 85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 166.21 -32.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' 1' ' 5' ' ' GLY . 48.2 tt0 -63.86 -34.59 78.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 110.334 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.634 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 43.4 t -63.14 -5.48 3.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.312 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -102.99 18.18 22.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -43.78 167.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 2.82 6.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.572 1.827 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.797 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 85.36 47.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.47 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 176.54 43.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 31.3 t70 -151.13 11.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.608 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.9 mtt180 -92.11 -178.36 4.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -112.82 21.82 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.33 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -50.19 -33.51 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.247 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.74 54.01 37.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.578 1.174 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -88.88 137.88 29.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -4.96 16.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -129.4 37.89 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.641 HG21 ' HE3' ' 1' ' 47' ' ' TRP . 1.4 p -56.94 123.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.55 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -167.49 150.95 5.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 55.19 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.827 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 10.9 tttt 179.54 -23.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.55 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -97.36 -45.35 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.4 m -63.12 -56.38 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.238 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -63.29 -6.26 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.4 t30 -106.34 -24.99 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.544 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.0 -27.82 21.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 125.75 23.18 1.7 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 83.5 m -120.39 178.16 4.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 12.0 t -123.85 127.67 48.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 40.7 t80 -87.93 124.44 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' 1' ' 47' ' ' TRP . 36.6 t0 -79.24 -88.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.3 t 87.61 -24.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.405 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 18.4 mtp180 -71.77 -44.42 64.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.204 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.797 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -120.2 105.92 41.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.55 15.57 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.72 64.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.765 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.2 -175.72 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 121.34 6.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.641 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -93.98 28.09 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 23.7 t -166.49 101.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.15 -170.14 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 67.14 39.67 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -94.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.945 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.0 OUTLIER -88.68 26.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.639 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 71.9 mm-40 -57.41 -26.28 60.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.5 pp20? -40.29 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' 1' ' 59' ' ' PHE . . . -46.64 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -97.92 20.17 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 6.2 t -106.9 -62.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.494 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -92.45 -4.65 53.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.801 ' O ' HG21 ' 2' ' 19' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . 0.418 ' CG ' ' H ' ' 2' ' 3' ' ' TYR . 0.3 OUTLIER -90.0 -130.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.418 ' H ' ' CG ' ' 2' ' 2' ' ' GLU . 47.5 m-85 -79.51 79.66 5.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 71.7 t -123.57 -57.91 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.963 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -63.96 -6.72 19.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.158 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.963 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -138.34 31.0 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' 2' ' 52' ' ' LEU . 0.4 OUTLIER -97.03 -156.51 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.115 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.742 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -74.76 5.8 4.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.16 . . . . 0.0 109.383 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' 2' ' 7' ' ' SER . 0.4 OUTLIER -105.21 -8.82 18.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.602 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 27.7 tt0 -67.73 -31.87 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.223 -179.906 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' 2' ' 37' ' ' CYS . 2.8 m -61.07 -11.09 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 108.363 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -116.7 21.89 13.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.869 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -41.54 166.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.869 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 26.5 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.567 1.825 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.043 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 47.29 70.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.84 42.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.925 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -164.53 13.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 20.4 mtt180 -91.31 179.77 5.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.801 HG21 ' O ' ' 1' ' 59' ' ' PHE . 25.5 t -108.11 16.79 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.505 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.81 84.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.651 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 3.2 t -49.15 -36.63 19.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.31 61.0 3.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.653 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -91.2 148.67 38.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.4 Cg_endo -74.89 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.3 m-70 -126.47 12.25 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.833 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -39.13 115.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.517 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -164.42 160.11 15.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.03 48.46 2.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.424 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 15.7 tttt -177.74 -16.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.517 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -101.11 -44.24 5.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.23 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 83.1 m -57.87 -56.33 23.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 108.209 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -61.31 -12.56 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.469 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 36.0 t-20 -93.72 -29.61 15.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.458 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.06 -26.08 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.483 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.66 26.81 2.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.6 m -122.57 166.1 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' 2' ' 11' ' ' CYS . 0.5 OUTLIER -112.32 122.02 46.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 108.277 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 52.5 t80 -87.24 122.63 31.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.0 t70 -89.99 -81.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.61 1.194 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.18 -14.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -66.05 -41.38 90.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 1.043 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.84 110.62 31.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 -5.3 16.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -8.02 65.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.819 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -121.62 -177.26 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.371 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 117.5 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.544 ' O ' ' CD1' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.04 27.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.833 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 35.1 t -171.43 101.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.64 -167.22 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.589 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 67.77 19.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.809 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -96.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.882 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -95.19 42.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.589 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.6 mm100 -59.57 -21.61 60.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 45.8 mt-10 -48.67 -22.41 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.22 -59.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 14.7 mt-10 -152.02 22.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -105.07 -65.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 108.288 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 0.8 OUTLIER -56.78 -52.34 65.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.475 ' O ' HG13 ' 1' ' 4' ' ' VAL . 0.0 OUTLIER -83.59 73.89 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -54.29 86.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 1.18 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.545 HG23 ' N ' ' 1' ' 5' ' ' GLY . 34.8 m -113.29 -54.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.545 ' N ' HG23 ' 1' ' 4' ' ' VAL . . . -71.83 3.69 18.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.822 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -137.84 16.65 2.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.91 -168.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.988 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -66.09 89.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.653 ' HB2' ' O ' ' 1' ' 8' ' ' ALA . 16.4 t-20 155.14 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.625 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 9.6 pt20 -57.17 -37.58 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.637 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 37.3 t -60.38 -11.74 7.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.353 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -97.11 17.37 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.895 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -49.48 166.44 0.25 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.895 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 28.46 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.038 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 46.4 62.36 2.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 35.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -161.39 18.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.543 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.72 170.53 10.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.552 HG12 ' O ' ' 1' ' 19' ' ' VAL . 45.6 t -96.59 18.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.69 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.28 -35.85 28.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.63 62.3 4.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -90.64 144.0 29.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.97 21.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -122.93 18.51 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.559 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.3 127.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -164.55 151.24 9.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.442 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 52.55 3.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.06 -20.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.612 1.195 . . . . 0.0 109.318 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.589 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -97.8 -43.69 7.04 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.9 m -55.99 -52.06 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m120 -66.86 -6.12 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -102.71 -26.69 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.604 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.77 -23.32 29.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.44 25.16 2.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 38.6 m -120.71 -177.05 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.585 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -128.19 126.23 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.249 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.28 121.57 30.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.24 -82.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.4 OUTLIER 85.47 -23.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 4.1 mtp180 -62.27 -44.42 96.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.959 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -119.79 107.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.5 1.789 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.92 -3.98 61.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.038 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -122.01 -175.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.583 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.1 118.38 5.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.571 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -92.71 30.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.055 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.3 t -168.83 108.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.374 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.602 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.25 -170.45 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.6 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.48 70.01 23.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.637 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.5 Cg_endo -74.98 -100.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.988 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -90.14 33.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.3 mm-40 -56.21 -23.85 38.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.632 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.26 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.96 -78.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.01 24.32 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 6.7 t -105.36 -60.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.186 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.632 HG22 ' O ' ' 1' ' 54' ' ' GLU . 3.1 t -63.42 -29.21 70.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.3 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -82.66 60.95 5.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.534 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 11.0 m-85 -90.16 74.68 7.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -122.14 -49.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.928 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -70.22 -1.89 37.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.928 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -127.62 6.88 6.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.483 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 2.7 t -109.31 -160.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.618 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -56.56 86.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' 2' ' 7' ' ' SER . 6.8 t30 162.51 -26.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 27.4 tt0 -65.62 -30.35 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.909 ' HB2' HD23 ' 2' ' 52' ' ' LEU . 6.1 m -58.72 -13.62 6.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.447 1.092 . . . . 0.0 108.287 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -110.82 23.06 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.62 168.03 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 25.34 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.927 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 46.39 67.62 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.08 42.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -164.5 16.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 19.4 mtt180 -90.26 -178.3 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.563 HG12 ' O ' ' 2' ' 19' ' ' VAL . 47.1 t -110.14 18.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.6 OUTLIER 33.34 84.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 5.3 t -49.61 -37.22 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 108.243 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.04 61.58 3.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.63 ' CE2' ' SG ' ' 2' ' 21' ' ' CYS . 0.2 OUTLIER -91.27 149.38 39.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 0.794 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.07 -7.03 18.74 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -123.63 12.59 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.616 179.902 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.817 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.11 115.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.574 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -161.68 157.23 20.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.475 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 48.56 2.03 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.59 1.837 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 4.5 tttt -178.44 -17.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.207 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.574 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -99.55 -43.53 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 96.1 m -56.98 -55.86 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.07 -10.34 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -95.02 -31.71 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.486 ' HB2' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -85.45 -27.81 25.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.542 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 121.5 26.53 1.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 82.6 m -123.22 164.32 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.859 ' SG ' ' SG ' ' 2' ' 11' ' ' CYS . 0.5 OUTLIER -111.45 122.74 48.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 34.0 t80 -85.35 123.03 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.587 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.75 -82.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -64.05 -44.32 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.927 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -117.37 109.3 42.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.8 17.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.781 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.43 -3.97 62.72 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.559 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER -121.16 -177.57 0.5 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.16 4.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.84 27.91 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 107.991 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.817 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.7 t -171.18 101.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.696 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.82 -167.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.16 66.93 43.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.82 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.05 -96.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.422 1.749 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.909 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -96.06 42.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.578 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.7 mm100 -57.07 -16.98 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.6 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -48.14 -19.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.78 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.77 10.9 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 1.3 t -86.61 -61.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.6 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.8 t -49.56 -38.62 31.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 110.952 -179.975 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -80.27 -120.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' 1' ' 7' ' ' SER . 2.8 p90 -92.63 79.43 4.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -139.35 -51.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.431 ' C ' ' HB2' ' 1' ' 10' ' ' GLN . . . -64.62 -6.02 20.64 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.637 HD23 ' H ' ' 1' ' 6' ' ' LEU . 1.0 OUTLIER -142.94 16.94 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 109.276 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.89 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 9.3 t -106.42 107.2 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.909 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . 28.83 -76.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.89 ' N ' ' O ' ' 1' ' 7' ' ' SER . 52.1 t30 -43.97 -13.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.681 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -52.73 -46.31 67.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.658 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 12.1 t -65.78 -3.25 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -109.12 15.26 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.941 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.46 167.77 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.941 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 27.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.004 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 47.9 65.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.95 37.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -161.23 16.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.9 mtt180 -91.38 171.69 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.577 HG12 ' O ' ' 1' ' 19' ' ' VAL . 48.6 t -98.69 17.27 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 32.97 85.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.73 -36.91 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.05 62.78 2.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.581 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.7 OUTLIER -91.64 156.32 43.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.23 20.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -132.58 53.43 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.694 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -74.65 125.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.521 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -165.29 157.22 13.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.04 55.61 4.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.13 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.521 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.1 mp0 -99.76 -48.8 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.3 m -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m120 -66.98 -4.53 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 48.6 t-20 -104.75 -27.16 11.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.85 -25.08 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 -179.939 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.06 26.21 2.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.8 m -120.91 -177.84 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -129.53 122.16 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 108.276 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 54.8 t80 -87.93 123.55 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.5 t70 -90.39 -84.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 89.6 -15.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.936 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -64.28 -43.46 94.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.913 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.1 mt -121.77 109.39 34.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.86 -6.24 62.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.004 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -122.14 -175.61 0.37 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.261 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 117.38 4.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.441 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -92.48 30.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.694 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 51.8 t -171.62 110.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.621 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -146.65 -168.34 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.645 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.55 69.26 15.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.681 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.4 Cg_endo -75.05 -100.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -88.28 31.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.645 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.0 mm100 -53.33 -24.36 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.5 ' HG2' HG22 ' 1' ' 58' ' ' THR . 0.7 OUTLIER -38.0 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.2 -55.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -139.78 21.03 2.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 0.6 OUTLIER -96.6 -74.65 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.5 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -61.61 -41.71 97.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' 1' ' 59' ' ' PHE . 70.4 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . 0.601 ' HA ' ' CE1' ' 2' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -3.09 58.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.661 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -91.83 65.04 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.48 HG13 ' N ' ' 2' ' 5' ' ' GLY . 7.3 p -126.29 -52.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.579 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -70.58 5.6 7.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.661 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -145.74 22.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 0.802 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.457 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 67.5 p -107.18 158.38 17.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.739 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -60.87 83.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' 2' ' 7' ' ' SER . 46.3 t30 178.14 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 40.5 tt0 -59.73 -31.17 69.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.72 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 41.4 t -66.21 -6.89 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.58 22.37 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -41.86 167.64 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.693 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 3.15 5.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.849 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 83.93 48.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.444 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 173.59 43.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.536 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 58.9 t0 -151.82 12.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.592 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.3 mtt180 -93.12 174.54 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 20.8 t -103.72 17.4 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.4 t0 34.67 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -50.9 -36.92 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 108.324 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.15 59.56 9.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.618 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.15 140.6 25.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.22 13.73 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.592 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.13 125.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.768 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.43 154.85 11.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.88 47.25 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.6 tttp -179.55 -19.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.768 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -95.62 -44.5 7.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.9 m -55.63 -55.69 29.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.332 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.35 -12.39 13.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.4 t30 -93.0 -30.28 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.618 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.81 -25.85 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.64 24.48 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.1 m -121.13 168.64 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.516 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -114.8 128.69 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 49.2 t80 -93.55 119.36 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 32.2 t70 -83.24 -81.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.73 -14.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.07 -45.95 79.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.059 . . . . 0.0 110.34 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.849 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -121.05 113.52 32.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -5.0 16.24 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.71 61.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.745 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -120.94 179.96 0.84 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 114.89 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -90.97 30.27 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 108.009 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.672 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.2 t -169.93 105.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.659 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.62 -167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 1.188 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.555 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.79 68.96 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.686 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.98 -93.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -101.37 40.05 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.555 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.0 mm100 -50.29 -20.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -40.29 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.317 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.31 -68.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.27 9.54 3.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.8 -53.0 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 108.262 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.428 HG22 ' O ' ' 2' ' 54' ' ' GLU . 4.1 t -73.08 -32.42 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 -179.963 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.563 ' HG2' ' CE2' ' 1' ' 3' ' ' TYR . 1.1 tp10 -87.62 -130.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.215 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' 1' ' 2' ' ' GLU . 0.8 OUTLIER -90.7 56.3 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.916 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 76.2 t -121.17 -42.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.451 ' C ' ' HB2' ' 1' ' 10' ' ' GLN . . . -74.04 7.45 15.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' 1' ' 3' ' ' TYR . 0.4 OUTLIER -132.48 8.29 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.237 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.76 179.89 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.988 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -70.76 -15.75 62.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.7 OUTLIER -95.42 -1.83 50.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.654 ' C ' HE21 ' 1' ' 10' ' ' GLN . 0.0 OUTLIER -67.12 -35.98 80.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.657 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 41.5 t -70.7 -4.89 25.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.335 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -98.27 12.82 33.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.962 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.05 161.39 0.12 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.962 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.5 Cg_endo -74.98 28.88 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.563 1.823 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.908 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 48.43 75.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 164.49 46.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -163.77 -23.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.6 mtt180 -50.57 -178.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 HG12 ' O ' ' 1' ' 19' ' ' VAL . 38.5 t -113.37 20.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 32.54 88.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -50.16 -34.97 24.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 108.28 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.73 59.46 6.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.617 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.05 143.48 28.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.972 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.4 Cg_endo -75.06 -8.88 20.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 35.4 m170 -119.76 13.03 12.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.2 p -37.87 125.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.571 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.73 154.82 7.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.389 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 53.17 3.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.66 -19.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.571 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -99.08 -43.95 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 59.9 m -56.13 -52.35 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.1 m120 -68.68 -1.98 8.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 18.2 t-20 -101.81 -33.36 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.617 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.64 -24.61 36.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.32 24.39 2.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.3 m -115.53 179.19 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.3 t -123.95 125.73 45.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 108.306 -179.921 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -89.32 120.03 30.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.563 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -83.15 -83.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -64.45 -44.52 90.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.908 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.2 107.82 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 17.8 Cg_endo -75.08 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.439 1.757 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.73 -6.32 65.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.825 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -121.27 -175.57 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 119.41 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.45 27.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 108.072 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.636 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 14.9 t -167.99 109.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.66 -171.97 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.87 71.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.657 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.96 -99.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -91.66 33.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.5 mm-40 -53.53 -18.46 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.0 -25.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.6 -69.44 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -127.62 22.24 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.0 t -99.75 -73.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.422 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -50.53 -29.28 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.1 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.74 66.23 9.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.81 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 4.7 m-85 -90.47 73.87 6.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 62.2 t -119.87 -53.35 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.32 2.12 22.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -131.13 7.4 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 0.804 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 26.0 p -87.7 175.3 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.719 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -73.69 -3.67 29.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.8 -6.55 26.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.718 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -65.96 -38.05 87.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.682 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 31.9 t -68.53 -4.59 15.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -109.56 14.78 23.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.934 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.35 167.33 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.934 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 26.92 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.909 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 50.77 71.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.469 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 168.67 39.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.463 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 8.1 t70 -163.44 15.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.614 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 14.4 mtt180 -92.44 170.34 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.1 t -92.8 13.31 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 1.4 t0 35.01 80.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.689 ' SG ' ' CD1' ' 2' ' 23' ' ' TYR . 2.2 t -47.84 -37.68 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 108.342 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.82 60.79 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.808 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.2 m-85 -93.06 157.69 38.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -12.79 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.502 ' CG ' ' HG2' ' 2' ' 30' ' ' GLU . 0.8 OUTLIER -115.4 5.05 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.835 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.3 p -38.02 115.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.731 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -165.26 161.53 14.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.49 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 49.96 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.99 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.731 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -93.28 -45.05 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 92.6 m -54.48 -57.09 12.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -60.94 -12.78 12.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 8.1 t30 -88.48 -36.3 16.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.48 -25.81 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 117.68 24.28 3.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.2 m -112.61 170.92 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.568 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.31 125.43 52.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 108.316 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.7 t80 -91.84 119.57 31.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 24.4 t70 -88.02 -83.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.68 -16.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -61.93 -43.53 98.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.811 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -121.93 110.21 33.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.45 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.94 14.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -8.2 63.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.909 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.46 -175.74 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.45 ' NE1' ' HA ' ' 2' ' 43' ' ' PRO . 0.0 OUTLIER -91.45 29.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.835 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 38.2 t -171.61 116.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 108.37 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.687 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -153.71 -166.9 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.528 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.2 69.57 20.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.718 ' C ' ' CD ' ' 2' ' 10' ' ' GLN . 18.2 Cg_endo -74.99 -104.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.719 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -91.29 39.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 23.0 mm100 -49.97 -19.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.591 ' HB2' HG21 ' 2' ' 58' ' ' THR . 12.2 pt-20 -42.71 -23.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.72 -66.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -138.45 15.79 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.07 -57.78 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.591 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 7.0 t -66.59 -27.64 67.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' 1' ' 3' ' ' TYR . 0.3 OUTLIER -80.59 -139.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.595 ' HA ' HD11 ' 1' ' 6' ' ' LEU . 3.0 p90 -92.3 77.91 5.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 26.7 t -133.09 -59.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.28 -3.11 11.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.754 HD22 ' O ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -142.8 16.26 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.249 -179.977 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.836 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 13.8 t -110.59 117.41 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . 29.03 -79.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.836 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -37.47 -25.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 179.931 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.654 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -53.85 -47.75 70.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.798 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 20.9 t -61.16 -8.73 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 108.369 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -96.0 16.49 17.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' 1' ' 17' ' ' ASP . 0.9 OUTLIER -37.83 159.12 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.984 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.533 ' HD2' HG13 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 30.87 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.944 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 50.45 67.23 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 162.91 42.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.535 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 41.5 t0 -161.86 14.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.563 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 16.0 mtt180 -91.82 173.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.9 t -101.48 17.46 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 34.12 85.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.637 1.211 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.636 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 4.1 t -46.82 -39.17 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.6 61.02 2.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' SG ' ' 1' ' 21' ' ' CYS . 1.5 m-85 -91.84 153.38 43.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.64 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -137.86 46.97 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.663 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -73.35 127.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.683 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -163.05 155.39 15.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.632 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.08 52.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.683 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -96.66 -46.76 6.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' 1' ' 26' ' ' VAL . 9.5 m -55.4 -53.46 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.57 -6.64 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.7 t30 -101.3 -29.38 12.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -82.64 -28.08 30.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.512 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 123.66 27.09 1.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 74.5 m -119.47 -177.98 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 7.4 t -127.72 121.02 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 42.6 t80 -88.11 123.44 32.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.2 t70 -91.45 -80.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.64 -13.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -65.25 -43.47 91.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.3 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.944 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.88 111.64 32.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.54 -4.82 59.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -120.99 -177.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.4 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.4 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 28.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.943 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.663 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.4 t -171.99 107.25 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -140.38 -167.69 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.638 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.8 67.83 41.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.665 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -74.95 -100.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.798 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -87.57 36.25 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.638 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -59.72 -20.87 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -48.68 -21.1 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -44.49 -64.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.49 16.85 11.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 42.6 t -97.95 -87.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.8 t -44.71 -33.36 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 1' ' 58' ' ' THR . 40.1 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . 0.434 ' HB3' HG22 ' 2' ' 4' ' ' VAL . 2.5 mt-10 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -90.55 -137.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.711 ' HA ' HD13 ' 2' ' 6' ' ' LEU . 47.8 p90 -76.97 64.58 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.515 HG23 ' N ' ' 2' ' 5' ' ' GLY . 13.3 m -115.09 -51.57 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.515 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -72.45 5.67 14.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.823 HD12 ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -133.63 9.22 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 179.955 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 71.7 p -81.78 -171.83 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.744 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -73.29 -5.26 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 2.0 t30 -100.12 -6.6 26.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.386 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.575 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.6 OUTLIER -64.62 -39.04 93.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.698 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 19.6 t -63.19 -8.17 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.932 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -100.93 18.18 20.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.621 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.5 OUTLIER -38.43 159.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.621 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 28.89 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.956 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.954 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 51.81 70.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 161.89 53.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.525 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 23.5 t70 -168.09 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.653 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -49.3 -179.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -114.95 18.45 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.52 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.85 -33.82 62.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.18 57.77 17.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -91.39 139.62 25.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.6 Cg_endo -74.9 -8.4 20.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -125.59 29.68 5.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -50.08 121.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.616 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -169.6 155.35 5.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 50.44 2.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.906 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.4 tttt -174.98 -22.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.616 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.2 OUTLIER -97.89 -45.56 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.6 m -63.38 -55.38 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.1 -5.34 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 14.6 t30 -104.23 -29.58 10.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.497 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -86.49 -29.92 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.484 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.47 1.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.3 m -120.95 168.95 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.471 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 4.7 t -115.35 128.16 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.6 t80 -95.47 121.41 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.6 t70 -88.64 -84.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.9 OUTLIER 90.41 -17.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.97 -53.11 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.954 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -112.83 121.61 38.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.38 -8.92 65.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.59 170.96 4.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 113.65 3.83 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.545 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.92 28.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 -179.978 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.657 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 18.8 t -169.52 101.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.692 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.6 -168.47 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 111.008 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.32 62.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.698 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.93 -98.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.744 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -94.42 38.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.586 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.5 mm100 -49.18 -20.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.897 ' O ' HG22 ' 2' ' 58' ' ' THR . 3.0 pt-20 -41.58 -25.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.85 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.413 ' OE1' HG11 ' 1' ' 19' ' ' VAL . 0.7 OUTLIER -109.72 14.77 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 6.7 t -92.82 -68.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.897 HG22 ' O ' ' 2' ' 54' ' ' GLU . 12.3 t -48.65 -22.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.21 -141.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.53 ' N ' ' CD1' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -74.16 73.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.498 HG22 ' N ' ' 1' ' 5' ' ' GLY . 0.2 OUTLIER -126.56 -64.03 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.498 ' N ' HG22 ' 1' ' 4' ' ' VAL . . . -67.65 3.34 5.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.65 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -152.01 22.42 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -72.88 177.5 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.059 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.838 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -65.69 -13.22 58.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.459 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -90.55 -7.94 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.66 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 4.7 pt20 -66.01 -37.93 87.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.754 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 33.5 t -63.13 -8.48 7.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.359 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -98.6 14.46 28.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' 1' ' 17' ' ' ASP . 0.8 OUTLIER -38.21 159.44 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.542 ' HD2' HG13 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 30.93 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.966 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 51.17 68.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.519 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.55 42.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.372 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.661 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 38.4 t0 -161.83 12.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 8.3 mtt180 -91.42 169.37 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 11.4 t -98.37 22.29 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.56 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 27.44 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.7 OUTLIER -48.39 -36.47 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.55 59.91 8.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.94 141.04 26.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 0.748 . . . . 0.0 110.931 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.89 19.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.607 1.846 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.5 32.15 5.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.595 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -54.15 128.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.548 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.16 151.97 6.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 57.1 4.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 175.9 -22.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.548 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -98.73 -46.52 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 21.6 m -55.97 -51.71 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -67.55 -3.43 8.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t30 -105.64 -27.82 11.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.636 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.88 -25.79 29.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.04 25.49 2.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.8 m -121.22 -178.28 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 8.1 t -126.49 124.69 40.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 48.7 t80 -86.71 121.87 29.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -86.17 -82.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 84.35 -22.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.413 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 2.2 mtp-105 -62.55 -44.19 96.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.813 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -119.98 110.32 36.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.23 17.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.49 -2.5 63.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.966 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -121.46 -177.89 0.54 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.576 0.81 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 117.26 4.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.547 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.17 28.2 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 14.3 t -169.19 105.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.94 -170.15 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.621 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.11 69.24 38.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.662 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -75.01 -101.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.838 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -88.66 33.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -56.3 -21.31 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.23 -25.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.3 -65.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.445 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.1 mt-10 -135.64 24.69 3.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -104.44 -55.21 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.9 t -68.51 -38.67 81.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 9.1 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -81.66 67.46 7.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.418 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 13.5 m-30 -87.51 76.15 9.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.48 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -127.34 -59.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.476 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -69.3 7.35 3.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.612 1.195 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.769 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -150.24 29.64 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 22.8 p -102.87 172.62 6.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.088 179.906 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -72.3 -3.72 25.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.74 -2.51 32.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.525 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -66.17 -36.01 81.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 179.911 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.825 ' HB2' HD23 ' 2' ' 52' ' ' LEU . 6.9 m -68.12 -10.36 53.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 108.325 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -118.43 21.75 12.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.67 167.0 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 26.31 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.569 1.826 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.058 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 47.1 69.26 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 164.94 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.21 12.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.3 mtt180 -90.02 178.78 6.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 12.1 t -109.06 19.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.4 84.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.5 -37.1 16.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 108.328 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.04 59.28 7.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -90.82 142.83 28.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 179.948 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -2.35 12.42 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.413 1.744 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.4 t-160 -125.71 10.85 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.62 122.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.587 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.39 158.05 9.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.963 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -75.02 48.1 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER 179.83 -15.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.587 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.8 OUTLIER -100.34 -45.17 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 97.8 m -55.67 -55.65 29.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.525 1.141 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.19 -11.32 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -91.53 -33.61 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.96 -25.18 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.513 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.42 25.71 2.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.062 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.2 m -121.87 162.46 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.514 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -109.15 125.84 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 108.245 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 40.7 t80 -88.45 120.0 29.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.554 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.7 -83.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.3 t 85.6 -22.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -66.1 -41.83 90.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 1.058 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.09 107.65 37.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 -5.33 16.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.14 -7.25 68.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.81 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.2 m -121.37 -175.54 0.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.614 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 121.11 6.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.46 26.61 2.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.738 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.5 t -168.81 105.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -144.68 -171.26 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.614 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.83 69.28 25.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.731 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -93.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.825 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -99.26 38.17 1.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.614 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.6 mm100 -51.26 -21.29 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -39.33 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.942 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.11 -65.13 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.07 14.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.5 -54.42 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 -179.989 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.433 HG22 ' O ' ' 2' ' 54' ' ' GLU . 6.5 t -61.68 -43.64 98.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.943 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.983 ' O ' HG13 ' 1' ' 4' ' ' VAL . 2.5 mt-10 -91.43 87.72 6.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.201 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.548 ' HA ' HD13 ' 1' ' 6' ' ' LEU . 53.4 m-85 -34.61 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.041 179.915 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.983 HG13 ' O ' ' 1' ' 2' ' ' GLU . 18.5 m -105.1 -45.36 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.187 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.51 ' C ' HD12 ' 1' ' 6' ' ' LEU . . . -73.45 6.62 15.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.915 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -121.87 -10.29 8.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 4.0 m -110.07 -156.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -55.61 143.01 31.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.674 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 9.0 t-20 98.48 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.684 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -56.43 -34.97 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.867 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 1.3 m -56.64 -14.0 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -108.71 27.94 8.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.926 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.24 167.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.926 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 26.23 0.37 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.923 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 47.64 69.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.528 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.4 42.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -163.29 14.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.58 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.6 mtt180 -90.45 171.86 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.6 t -102.24 19.3 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 31.49 86.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.24 -35.5 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.272 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.71 58.71 10.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.16 140.54 25.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 42.0 m-70 -126.75 12.33 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.714 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -37.96 124.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.732 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -164.51 156.33 13.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.54 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.396 1.735 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.03 -19.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.732 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -93.98 -45.71 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 85.9 m -55.43 -56.56 18.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 108.326 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.9 m120 -61.0 -9.02 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.382 1.051 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 8.5 t30 -95.03 -36.54 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.633 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.02 -23.1 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.13 20.76 3.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.7 m -120.57 156.85 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' 1' ' 11' ' ' CYS . 0.5 OUTLIER -100.82 125.39 47.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.257 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.29 119.0 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.907 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -79.32 -83.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 1.7 t 85.95 -23.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -64.53 -46.19 83.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.859 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -115.2 109.19 46.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.73 15.82 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.4 -3.7 61.26 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.923 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -120.08 -178.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.526 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.511 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.53 29.14 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.714 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 7.4 t -170.12 101.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.357 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -141.05 -171.5 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.627 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.57 68.82 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.932 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.861 ' HG2' ' SG ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.03 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.57 1.826 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.867 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -91.62 39.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 10.9 mm-40 -54.98 -21.06 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.472 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.5 OUTLIER -43.39 -23.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.75 -67.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -118.27 16.1 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 9.1 t -98.88 -90.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -37.61 -33.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.7 t80 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -89.79 73.64 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.769 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 7.8 m-85 -87.64 82.71 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 47.7 t -122.89 -59.91 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.432 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -70.99 6.72 6.32 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.769 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER -145.58 16.74 1.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 0.738 . . . . 0.0 109.195 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' 2' ' 52' ' ' LEU . 0.7 OUTLIER -84.16 168.93 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.956 179.983 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.694 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -68.64 -6.85 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.49 -8.89 34.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.432 ' HG3' ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -67.15 -33.73 76.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 179.882 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.805 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 35.4 t -74.3 -0.61 17.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.351 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.74 12.25 18.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.949 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -45.53 166.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.949 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -74.99 27.82 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.999 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 44.37 59.74 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.62 33.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -160.38 17.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.507 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 21.2 mtt180 -85.9 178.43 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.678 HG12 ' O ' ' 2' ' 19' ' ' VAL . 87.3 t -108.88 19.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 31.64 90.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -55.94 -31.69 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.333 179.948 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.65 56.01 17.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.445 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -85.55 143.15 38.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.507 0.769 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 -14.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 27.27 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.635 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.6 OUTLIER -43.08 114.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.605 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.44 154.2 7.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 50.06 2.43 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.2 tttp -170.5 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.605 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -98.64 -44.78 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 16.4 m -62.52 -55.79 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.89 -4.79 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.9 t30 -102.88 -29.95 11.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.479 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.61 -30.64 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.29 23.62 1.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.7 m -118.17 174.79 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.4 t -123.41 124.13 42.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 82.3 t80 -90.88 122.49 33.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -90.26 -83.72 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 88.06 -15.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -42.73 95.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.413 1.07 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.6 OUTLIER -121.1 111.34 33.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.416 1.745 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.14 -5.6 62.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.999 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.65 -178.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 116.33 4.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.635 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -90.07 28.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 107.992 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 49.9 t -171.56 107.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 108.285 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.649 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -140.73 -167.92 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.13 68.09 35.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.04 -91.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.805 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -104.25 27.36 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.567 ' NE2' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -50.92 -14.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 pp20? -50.39 -18.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.47 1.106 . . . . 0.0 110.205 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.609 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -34.23 -66.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 14.07 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.23 -79.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.7 OUTLIER -48.09 -25.47 1.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.909 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.05 -25.47 21.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.509 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 3.8 p90 -93.0 68.44 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 55.1 t -130.43 -50.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.548 ' HA2' ' NE2' ' 1' ' 10' ' ' GLN . . . -68.41 2.31 7.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.501 1.125 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -147.14 19.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 0.753 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.513 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 0.2 OUTLIER -105.87 139.67 40.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.402 1.064 . . . . 0.0 109.961 -179.988 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.707 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -67.13 59.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -152.8 -26.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.548 ' NE2' ' HA2' ' 1' ' 5' ' ' GLY . 16.0 tt0 -59.01 -32.46 69.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.929 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 4.0 m -62.1 -8.7 5.82 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 108.255 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -119.29 21.45 12.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.936 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.43 166.9 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.936 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 27.29 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.918 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 46.12 68.8 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 167.95 40.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 -179.962 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -162.08 13.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.5 mtt180 -90.25 172.57 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.2 t -105.15 19.2 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.48 86.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.57 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.72 -35.46 31.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 61.52 6.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.0 143.57 28.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 179.919 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.92 -5.99 17.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -124.93 13.67 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.669 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -37.84 124.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.735 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -165.03 154.64 11.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.988 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.93 51.39 2.75 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.551 1.816 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 178.41 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 -179.945 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.735 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -94.91 -45.21 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 79.4 m -55.79 -56.1 24.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 3.0 m120 -61.48 -9.01 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.6 t-20 -98.84 -31.53 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.603 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.98 -22.97 31.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.98 16.75 4.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 15.1 m -120.61 157.49 29.43 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' 1' ' 11' ' ' CYS . 0.1 OUTLIER -103.12 126.94 50.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 179.913 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 43.4 t80 -90.87 118.18 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.0 t70 -82.48 -82.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 88.75 -16.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -58.91 -59.71 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.635 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -108.05 125.41 32.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -14.27 21.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.507 1.793 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.75 65.31 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.918 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -106.43 169.1 7.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.873 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.414 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -87.01 29.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.669 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 7.9 t -169.65 99.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.327 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -142.41 -171.07 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.617 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.5 70.08 12.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.814 ' HG2' ' SG ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -97.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.929 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -93.87 32.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.617 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.1 mm100 -52.31 -22.53 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.489 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -38.92 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -34.13 -67.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.405 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.5 mt-10 -137.12 25.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 2.9 t -105.63 -49.82 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.489 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 2.4 t -78.74 -39.81 35.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 41.0 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.54 72.2 10.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.497 ' HA ' HD13 ' 2' ' 6' ' ' LEU . 5.9 m-85 -86.9 77.6 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.504 HG23 ' N ' ' 2' ' 5' ' ' GLY . 28.6 m -116.83 -52.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.504 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -71.27 1.29 27.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.649 HD12 ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -130.87 9.21 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.459 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.5 OUTLIER -107.32 -165.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.714 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -58.19 85.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' 2' ' 7' ' ' SER . 7.6 t30 165.73 -30.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 52.7 tt0 -66.27 -30.55 71.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.748 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 43.7 t -65.43 -6.88 11.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 108.296 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -108.54 13.84 25.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.77 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.5 OUTLIER -40.63 161.98 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.77 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 17.9 Cg_endo -75.01 29.49 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.932 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.878 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 50.66 71.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 163.93 50.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.543 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 39.1 t0 -165.45 -26.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.4 mtt180 -48.57 179.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 HG12 ' O ' ' 2' ' 19' ' ' VAL . 22.9 t -113.77 20.02 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.44 89.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -53.74 -33.69 56.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.77 55.12 30.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.15 136.24 29.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -4.6 15.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -124.41 21.36 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.602 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.3 p -43.45 123.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.723 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -165.63 152.52 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.06 48.27 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.21 -23.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.723 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -92.6 -44.85 8.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.0 m -61.43 -58.75 6.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.47 -8.45 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.7 t30 -101.31 -28.08 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.493 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.36 -25.99 21.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.88 22.12 2.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.6 m -120.77 164.87 15.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 6.3 t -112.08 128.04 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.236 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 58.5 t80 -95.29 120.76 36.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 20.6 t70 -88.06 -82.62 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.55 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 88.27 -15.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -60.52 -53.11 61.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.764 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -116.02 125.22 28.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -14.76 21.01 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.554 1.818 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.99 -9.27 68.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.918 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.51 170.16 5.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.918 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.07 115.21 4.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.602 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.28 28.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 108.029 179.987 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.584 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.4 t -169.64 100.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.685 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -138.0 -169.27 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.32 68.29 48.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.667 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -98.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.748 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -95.5 35.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -47.14 -22.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -36.67 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.48 -65.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -134.99 11.9 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -87.06 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 1.4 t -66.3 -51.61 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.509 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.564 ' O ' HD11 ' 1' ' 6' ' ' LEU . 0.3 OUTLIER -91.05 -137.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.803 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -91.6 63.18 4.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.512 HG13 ' N ' ' 1' ' 5' ' ' GLY . 12.3 p -120.87 -52.66 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.512 ' N ' HG13 ' 1' ' 4' ' ' VAL . . . -70.71 3.53 12.1 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.803 HD21 ' HA ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -131.98 3.3 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 81.9 p -86.0 165.72 16.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.71 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -72.02 -5.39 34.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.23 -13.9 27.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.675 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.4 OUTLIER -65.92 -40.83 91.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.91 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.806 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 15.2 t -65.14 -5.34 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 108.287 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.423 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.53 15.33 23.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.865 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.19 166.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.865 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 27.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.777 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.941 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 53.12 72.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 166.03 41.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.667 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 19.0 t0 -160.18 10.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.0 mtt180 -90.82 173.91 7.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 7.0 t -106.17 19.28 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.76 87.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -51.16 -35.71 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.23 63.2 4.48 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -91.84 141.15 25.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.43 0.724 . . . . 0.0 110.992 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.06 -7.26 18.95 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -123.58 17.35 9.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 109.575 -179.987 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.577 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.03 128.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.669 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.74 152.47 8.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.471 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 51.18 2.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.73 -20.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.669 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -96.2 -42.77 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.577 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 50.6 m -58.57 -51.24 70.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 72.5 m-20 -67.55 -4.25 11.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -105.12 -27.51 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.634 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.7 -23.95 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.196 -179.942 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.84 23.76 3.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.3 m -120.53 -178.77 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.37 125.87 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 58.9 t80 -90.55 121.9 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 23.3 t70 -90.57 -81.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.79 -15.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -59.66 -54.36 47.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.717 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -115.07 124.75 29.81 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.66 21.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.88 -9.82 65.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.565 1.165 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.941 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -107.34 169.72 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 113.12 3.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.433 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.82 29.65 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.8 t -170.54 98.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.27 -170.61 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.63 69.39 16.35 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.919 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.675 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.4 Cg_endo -75.0 -100.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.806 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -90.38 34.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -54.57 -18.89 4.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.79 -25.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.916 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.01 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.39 1.057 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.487 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.6 mt-10 -128.82 27.91 5.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.3 t -108.12 -56.83 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -72.4 -29.39 63.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.658 ' O ' HG21 ' 2' ' 19' ' ' VAL . 3.4 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . 0.5 ' O ' ' CE2' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.59 64.48 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.555 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 3.4 p90 -92.22 79.43 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 t -138.22 -50.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.7 -5.24 23.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.117 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.67 HD22 ' O ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -140.38 12.28 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.825 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 1.0 OUTLIER -110.01 117.01 32.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.752 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . 29.18 -79.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.431 1.082 . . . . 0.0 109.357 -179.938 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.825 ' N ' ' O ' ' 2' ' 7' ' ' SER . 1.0 OUTLIER -36.59 -24.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.641 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -52.64 -49.94 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.838 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 17.2 t -61.13 -8.87 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 108.351 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -102.69 24.3 10.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -41.75 168.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.702 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 2.68 6.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' 2' ' 45' ' ' VAL . . . 84.37 48.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.493 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 176.41 44.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.08 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.572 ' HB3' HG11 ' 2' ' 13' ' ' VAL . 38.6 t70 -154.94 12.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.2 mtt180 -92.81 178.73 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.671 HG12 ' O ' ' 2' ' 19' ' ' VAL . 96.8 t -108.4 19.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 33.03 84.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.529 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -47.42 -37.61 11.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.19 59.46 7.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.633 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.7 OUTLIER -92.3 146.0 31.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -8.57 20.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -119.45 10.19 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.582 180.0 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -37.87 121.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.607 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.85 157.97 10.71 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.89 48.46 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.87 -16.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.607 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -99.41 -44.6 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.7 m -55.76 -55.64 29.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.366 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -63.06 -9.89 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -92.16 -35.6 13.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.6 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.66 -26.2 32.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.49 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.75 25.25 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 65.7 m -117.18 168.26 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.0 t -111.99 131.3 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.256 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.3 t80 -94.56 118.9 32.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.38 -83.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.09 -21.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -65.66 -43.53 89.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.232 -179.924 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.824 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -120.0 109.71 37.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.51 61.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -120.53 -177.54 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.492 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.49 29.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 179.933 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.767 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.6 t -169.39 112.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -149.74 -169.91 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.642 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.02 70.75 61.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.03 -98.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.408 1.741 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.838 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -92.67 31.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.6 mm100 -44.42 -23.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.8 pt-20 -37.96 -27.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.98 -59.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.64 17.53 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -93.27 -69.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 108.315 -179.956 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.414 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 5.8 t -61.65 -41.28 97.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.987 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 1.003 ' O ' HG23 ' 1' ' 4' ' ' VAL . 13.8 tt0 -91.06 85.14 5.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -46.0 85.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 1.003 HG23 ' O ' ' 1' ' 2' ' ' GLU . 20.1 t -123.54 -49.63 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.497 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -71.84 0.53 36.28 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.535 1.147 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.433 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -128.83 7.08 5.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 0.723 . . . . 0.0 109.258 -179.951 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.79 -153.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.94 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -66.5 86.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 164.82 -29.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' 1' ' 5' ' ' GLY . 48.3 tt0 -67.36 -28.5 68.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.628 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 43.3 t -72.76 -1.22 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 108.284 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.22 10.58 14.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.934 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.8 167.95 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.934 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.12 27.41 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.973 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 49.08 64.94 1.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.93 36.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 -179.93 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.471 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 32.8 t0 -158.99 15.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.396 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 9.5 mtt180 -90.38 175.74 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.568 HG12 ' O ' ' 1' ' 19' ' ' VAL . 46.1 t -104.49 19.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.54 85.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.573 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.65 -35.71 14.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.893 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.49 61.69 5.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.99 141.07 26.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -125.57 18.35 8.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.593 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -41.11 127.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.741 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -163.44 152.2 11.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.993 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.98 2.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.987 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.28 -22.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.741 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -94.89 -44.4 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 37.6 m -55.43 -52.2 64.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.2 m120 -67.56 -3.36 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t-20 -105.53 -26.4 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.414 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.32 -25.55 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.91 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.8 23.49 2.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.971 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -121.04 -177.33 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.573 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -127.79 126.73 42.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 108.33 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 40.6 t80 -89.08 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.573 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.31 -82.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 86.23 -23.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.004 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 5.4 mtp-105 -64.4 -43.3 94.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.973 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.1 mt -120.92 106.49 39.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.8 -6.2 63.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.93 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.2 -176.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.368 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.598 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.91 118.92 5.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.96 29.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 107.982 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.4 t -168.49 103.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.9 -170.25 3.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.664 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.82 69.51 17.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.628 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -92.48 28.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.664 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.6 mm-40 -54.16 -22.89 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.506 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.6 OUTLIER -39.29 -28.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.05 -67.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -130.42 25.12 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 5.2 t -104.32 -55.61 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.506 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 11.6 t -78.55 -38.2 40.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 79.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . 0.565 ' O ' ' CD2' ' 2' ' 3' ' ' TYR . 8.3 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -85.78 61.44 6.85 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' 2' ' 1' ' ' GLU . 8.2 p90 -91.77 69.63 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.553 HG23 ' N ' ' 2' ' 5' ' ' GLY . 31.8 m -125.41 -54.29 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.561 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -70.37 1.59 19.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.553 ' N ' HD23 ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -137.11 15.49 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.406 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.2 OUTLIER -107.75 -167.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.983 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.544 ' HA ' ' HG ' ' 2' ' 52' ' ' LEU . . . -59.96 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 4.0 t-20 159.39 -24.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.561 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 48.9 tt0 -57.4 -37.52 72.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 10.0 t -59.12 -12.16 4.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -97.32 21.17 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.697 HG11 ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -43.26 166.3 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.974 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.707 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 3.4 5.66 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.433 1.754 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.886 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 85.14 57.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.522 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 170.42 44.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.697 ' HB3' HG11 ' 2' ' 13' ' ' VAL . 55.3 t0 -154.1 10.23 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.627 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.5 mtt180 -93.25 176.07 6.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 11.6 t -108.72 18.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 34.97 87.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.88 -31.99 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 38.5 58.54 1.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.157 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.74 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.0 OUTLIER -90.37 153.65 46.36 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.473 0.749 . . . . 0.0 110.873 -179.874 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -9.71 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -117.63 6.87 12.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.869 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -38.28 113.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.716 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -163.67 163.79 15.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.92 47.53 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -21.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.716 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.2 OUTLIER -94.42 -43.24 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' 2' ' 26' ' ' VAL . 85.2 m -54.18 -56.28 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -63.02 -12.07 23.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -83.49 -38.82 21.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.584 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.35 -27.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.88 26.31 2.57 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 35.7 m -110.31 176.37 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.5 t -120.8 126.5 50.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 89.8 t80 -94.19 116.27 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.1 t70 -84.96 -82.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 89.94 -18.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -60.09 -40.69 90.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.886 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.3 mt -120.28 119.58 30.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.43 19.71 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.93 -7.62 65.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.897 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.45 170.2 5.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.584 0.814 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.897 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 111.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -85.87 32.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.869 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.9 t -171.15 108.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -150.53 -171.13 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.583 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.21 73.33 27.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -109.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 1.037 HD22 ' O ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.16 32.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.393 179.908 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.595 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 27.6 mm-40 -42.29 -24.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.531 ' HG2' HG21 ' 2' ' 58' ' ' THR . 0.4 OUTLIER -33.76 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.64 -62.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -140.28 16.27 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.62 -62.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.99 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.531 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 0.8 OUTLIER -67.79 -47.7 68.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.951 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.436 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 1.7 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.89 -87.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -79.2 78.5 5.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -122.88 -57.12 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.566 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -66.02 -1.32 9.2 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.839 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -142.23 32.14 1.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -94.96 -173.13 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.939 -179.922 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.736 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -61.68 -16.35 48.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 1.6 t-20 -80.11 -18.63 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.789 HE22 ' C ' ' 2' ' 59' ' ' PHE . 6.8 tt0 -65.56 -36.72 84.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.802 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 50.7 t -69.99 -3.92 18.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -104.35 8.66 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.928 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.1 160.84 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.928 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.17 36.28 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.034 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 44.61 77.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.26 45.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.573 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 51.3 t0 -158.63 -26.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.645 ' HE ' HG12 ' 1' ' 13' ' ' VAL . 10.1 mtt180 -53.18 177.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.3 t -111.6 19.31 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.34 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.1 t -49.04 -34.22 13.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.89 59.81 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' OH ' ' CE2' ' 2' ' 23' ' ' TYR . 0.6 OUTLIER -92.76 142.89 26.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.0 -7.89 19.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -121.77 19.88 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.535 179.98 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.668 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.6 p -46.92 128.05 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.557 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.57 151.94 8.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.613 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 53.28 3.28 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.41 1.742 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.37 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.557 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.7 OUTLIER -99.71 -45.73 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.906 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 14.9 m -54.92 -52.24 63.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.8 m120 -67.33 -4.09 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -103.82 -28.7 11.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.6 -30.34 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.15 25.58 1.18 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 -179.907 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.592 ' O ' ' NE2' ' 1' ' 53' ' ' GLN . 59.5 m -120.53 -177.69 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 7.2 t -126.86 126.92 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -81.09 129.52 34.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.584 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 9.5 t70 -71.13 -99.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.4 t 92.09 -9.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.938 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.401 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 8.6 mtp180 -91.34 -54.78 3.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.934 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.893 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -117.83 122.21 30.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.16 21.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.31 -7.34 69.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.034 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -106.38 170.96 5.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 117.28 4.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.09 30.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.668 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 8.9 t -168.26 97.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.658 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.79 -174.09 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.56 71.01 47.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -91.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -87.4 15.85 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.948 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' 1' ' 36' ' ' CYS . 92.5 mm-40 -49.3 -23.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.584 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.87 -25.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -56.7 -85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.51 3.17 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 19.9 t -99.28 -73.37 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.584 HG22 ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -45.73 -39.65 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.425 179.978 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.34 -117.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.418 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 5.5 p90 -91.27 80.68 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.516 HG23 ' H ' ' 2' ' 5' ' ' GLY . 5.8 m -135.63 -57.01 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.861 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -68.58 4.34 5.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.861 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -151.64 27.0 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 0.726 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' 2' ' 3' ' ' TYR . 15.2 p -105.86 155.93 18.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.886 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -58.21 89.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.912 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.2 OUTLIER 167.66 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.579 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 36.3 tt0 -62.01 -31.17 71.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.67 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 35.2 t -70.56 -3.92 20.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 108.263 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -115.28 12.92 16.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.859 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.62 165.81 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.859 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 28.11 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.582 1.832 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.934 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 51.6 73.15 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.489 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.2 OUTLIER 164.97 40.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.619 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 35.0 t0 -160.82 12.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.589 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.2 mtt180 -91.55 173.72 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -104.49 19.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER 32.8 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 4.2 t -47.46 -35.41 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.57 57.69 3.21 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.642 ' O ' HG12 ' 2' ' 26' ' ' VAL . 3.1 m-30 -91.63 146.71 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -122.88 11.26 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.671 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -41.32 124.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.764 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -164.85 154.21 11.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 47.34 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.81 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 24.1 tttt -178.95 -20.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.764 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mt-10 -94.82 -44.64 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.218 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.1 m -55.2 -56.19 22.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -61.05 -13.14 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -94.34 -28.04 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -86.32 -27.2 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.516 ' HA3' ' HZ1' ' 1' ' 50' ' ' LYS . . . 120.96 24.15 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.6 m -118.44 177.5 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.553 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.2 t -123.99 127.85 48.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.4 t80 -92.87 123.65 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.8 t70 -91.02 -82.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 88.62 -15.88 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -60.0 -51.27 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 179.957 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.728 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -117.36 125.14 28.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.913 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -15.53 20.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.25 -10.29 68.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.934 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -106.91 169.64 6.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.885 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.406 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -86.31 29.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.038 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.754 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 34.7 t -171.52 101.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.711 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.86 -168.13 2.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.92 66.92 30.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.711 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.95 -88.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.895 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -103.88 27.42 7.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -48.4 -17.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.406 1.066 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.524 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.55 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.11 -64.83 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.78 15.71 6.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 33.2 t -92.56 -79.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.524 HG22 ' O ' ' 2' ' 54' ' ' GLU . 9.8 t -42.83 -38.84 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.789 ' C ' HE22 ' 1' ' 10' ' ' GLN . 1.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.943 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.44 16.47 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -90.19 72.0 7.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.556 HG13 ' N ' ' 1' ' 5' ' ' GLY . 9.3 p -117.63 -55.93 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.556 ' N ' HG13 ' 1' ' 4' ' ' VAL . . . -71.11 2.07 21.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.488 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -134.62 9.78 3.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.743 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -166.6 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.805 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -71.29 -14.2 62.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.593 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -93.01 -8.28 43.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.398 179.967 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.503 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 2.6 pt20 -61.18 -42.72 99.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.674 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 15.9 t -59.07 -11.82 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -93.92 21.18 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -42.23 168.21 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.923 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.66 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 3.94 5.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 0.868 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 83.08 45.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.486 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 179.67 44.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.546 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 21.2 t0 -153.28 11.25 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.09 . . . . 0.0 109.26 -179.92 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.7 mtt180 -92.98 179.88 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.388 179.929 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.78 20.15 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.1 OUTLIER 34.46 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.597 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -56.8 -33.72 66.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.98 54.79 21.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.632 ' CE2' ' SG ' ' 1' ' 36' ' ' CYS . 0.1 OUTLIER -90.31 140.39 27.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -12.87 21.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.8 10.01 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.608 HG12 ' O ' ' 1' ' 23' ' ' TYR . 2.0 p -41.24 128.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.631 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -169.21 153.69 5.56 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.157 . . . . 0.0 110.421 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' O ' ' HB2' ' 1' ' 29' ' ' LYS . 18.4 Cg_endo -74.94 59.59 5.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 166.2 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.631 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -93.92 -45.7 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 22.8 m -53.6 -50.71 65.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.428 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 3.6 m120 -75.47 8.29 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 44.0 t30 -106.72 -40.54 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.93 -37.58 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 139.98 23.41 0.3 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.632 ' SG ' ' CE2' ' 1' ' 23' ' ' TYR . 65.9 m -118.91 165.27 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.582 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 19.9 t -111.77 126.15 54.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.373 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' 1' ' 27' ' ' THR . 36.3 t80 -92.69 119.51 32.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' 1' ' 41' ' ' ARG . 49.4 t0 -79.86 -82.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 84.05 -31.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -63.3 -40.26 96.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.868 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -120.31 104.08 43.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.909 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -5.82 17.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.49 -5.38 67.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.831 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.64 -176.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.44 28.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.019 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.4 t -167.72 103.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.674 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.99 -168.79 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.972 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.603 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -126.07 68.91 65.5 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 109.23 -179.963 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.652 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.95 -99.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.805 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -91.76 37.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.7 mm100 -56.49 -23.51 39.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.426 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -43.01 -23.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.46 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -43.69 -65.07 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.81 17.94 11.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 36.6 t -98.16 -86.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.469 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 7.9 t -42.61 -26.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.7 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.4 54.39 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -90.06 71.35 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -52.12 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.722 ' C ' HD23 ' 2' ' 6' ' ' LEU . . . -72.38 4.08 21.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.722 HD23 ' C ' ' 2' ' 5' ' ' GLY . 0.1 OUTLIER -130.79 3.95 4.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.414 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 77.4 p -109.08 176.77 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.712 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -61.91 84.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 0.2 OUTLIER 175.27 -32.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.6 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 1.4 tt0 -61.18 -30.38 70.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 -179.977 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.815 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 34.7 t -68.45 -5.17 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 179.998 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -106.29 14.75 27.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.963 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -47.67 166.04 0.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.963 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.94 27.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.996 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 46.05 61.44 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.96 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 2.9 ptmt -177.58 34.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -163.14 21.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 17.7 mtt180 -90.16 174.64 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.6 t -101.06 20.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.46 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 8.8 t -49.37 -35.7 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.1 45.57 95.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.491 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -82.52 135.34 46.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.05 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.61 24.06 9.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.67 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.6 OUTLIER -43.65 119.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.72 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -163.42 149.6 9.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 50.2 2.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -176.69 -25.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.72 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -92.69 -44.34 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.3 m -62.57 -57.58 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.6 m120 -61.62 -6.84 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 23.5 t30 -105.39 -25.68 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.97 -28.09 19.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.529 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.26 20.51 1.99 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 96.9 m -120.46 168.03 11.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.8 t -116.88 128.17 54.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.082 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 55.6 t80 -91.06 123.5 34.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.555 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 1.2 t70 -86.7 -85.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.1 t 90.4 -20.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . 0.433 ' N ' ' OD2' ' 2' ' 39' ' ' ASP . 4.5 mtp180 -61.88 -48.07 82.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.776 ' CD1' ' HB3' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -116.14 112.48 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.913 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -7.03 18.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.03 0.18 60.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.996 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.95 -178.1 0.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.67 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.6 28.37 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.977 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 30.7 t -170.31 103.97 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.29 -168.7 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.72 68.93 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.924 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.1 Cg_endo -75.02 -97.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.455 1.766 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.815 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -95.34 38.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -52.52 -18.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.888 ' O ' HG22 ' 2' ' 58' ' ' THR . 3.5 pt-20 -41.94 -25.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.01 -85.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -111.74 17.39 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -95.59 -68.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 108.364 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.888 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.9 t -43.58 -25.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' 2' ' 57' ' ' CYS . 12.2 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.858 ' O ' HG13 ' 1' ' 4' ' ' VAL . 1.8 tt0 -73.74 77.61 1.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.502 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 30.8 m-85 -29.38 85.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.858 HG13 ' O ' ' 1' ' 2' ' ' GLU . 27.8 m -132.91 -44.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . 0.468 ' O ' ' CD ' ' 1' ' 10' ' ' GLN . . . -72.36 5.2 16.0 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.582 1.176 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.713 HD12 ' N ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -113.58 -13.0 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 0.814 . . . . 0.0 109.34 -179.979 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . 0.713 ' N ' HD12 ' 1' ' 6' ' ' LEU . 3.4 m -110.04 -176.33 2.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.72 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -44.95 148.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 8.5 t-20 96.03 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.668 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 1.1 pt20 -57.17 -41.87 80.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 40.0 t -57.85 -10.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -85.57 10.55 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.63 HG23 ' HD2' ' 1' ' 14' ' ' PRO . 0.2 OUTLIER -33.54 148.81 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -75.04 33.96 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.085 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 54.44 63.2 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 -179.976 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 163.48 42.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.922 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -155.84 9.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.594 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 8.3 mtt180 -93.19 175.87 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.1 t -106.87 16.52 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 38.6 86.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.628 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 1.9 t -46.76 -38.74 10.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.5 56.79 6.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.166 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.647 ' O ' HG12 ' 1' ' 26' ' ' VAL . 1.7 m-85 -91.63 148.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.14 13.43 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 179.968 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -44.6 125.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.666 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.7 155.18 9.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.364 179.948 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.597 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -74.94 52.08 2.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.62 -20.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.666 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -96.66 -44.49 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.8 m -56.21 -53.17 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -67.03 -2.45 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 35.7 t-20 -105.27 -28.92 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -85.19 -26.89 26.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.75 26.46 1.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 72.0 m -119.85 176.66 5.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -121.54 123.4 41.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 37.8 t80 -93.96 119.08 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 33.3 t70 -85.68 -79.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.6 -14.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -66.17 -42.21 89.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 1.085 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.2 mt -122.38 109.25 33.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.14 -7.52 62.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 0.925 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -121.33 -175.94 0.38 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.609 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 117.21 4.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.453 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -92.98 28.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 107.988 179.978 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.729 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.9 t -170.48 108.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.616 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -145.51 -168.61 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 -179.978 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -124.11 70.27 51.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.668 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.3 Cg_endo -75.01 -100.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -90.72 33.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 27.8 mm100 -52.36 -19.41 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 179.953 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.548 ' HB2' HG21 ' 1' ' 58' ' ' THR . 7.3 pt-20 -40.92 -26.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.45 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . 0.468 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER -127.73 24.2 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.933 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.2 t -105.11 -53.03 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.548 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 2.5 t -80.65 -37.71 30.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.6 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -85.46 73.3 10.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.481 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 8.6 m-85 -76.34 82.74 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 49.1 t -124.36 -56.06 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.97 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -72.31 7.4 8.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.97 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -144.79 15.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 0.811 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 63.8 p -117.66 -156.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.945 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.647 ' O ' ' CB ' ' 2' ' 9' ' ' ASN . . . -51.11 143.12 11.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.914 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.647 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER 94.62 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.595 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.3 OUTLIER -60.52 -32.2 71.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.246 -179.992 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 1.146 ' SG ' ' SG ' ' 2' ' 37' ' ' CYS . 1.8 m -65.82 -10.76 40.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -113.8 25.39 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.9 168.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.11 26.15 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 0.93 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 46.23 67.41 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 165.48 41.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -163.97 15.29 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.642 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 21.4 mtt180 -87.96 175.52 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 110.335 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.557 HG12 ' O ' ' 2' ' 19' ' ' VAL . 44.9 t -105.92 19.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.63 85.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.08 -36.13 28.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.353 179.969 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.69 58.45 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.669 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.99 141.93 26.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.737 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.0 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.77 10.5 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.562 -179.957 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.721 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.76 122.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.626 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.86 159.17 9.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.95 47.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER 179.56 -15.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.626 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -99.17 -46.89 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 86.9 m -54.26 -56.79 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.31 -11.84 11.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -89.74 -35.85 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.669 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.59 -25.44 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.967 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.544 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.59 25.82 2.77 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.141 . . . . 0.0 111.067 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 59.8 m -120.46 161.79 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 1.146 ' SG ' ' SG ' ' 2' ' 11' ' ' CYS . 0.1 OUTLIER -108.01 125.81 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.334 179.968 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 36.4 t80 -87.68 120.76 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.567 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.07 -83.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.67 -22.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -64.81 -44.03 91.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.93 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -118.45 109.67 40.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -6.86 18.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.45 -4.55 65.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 0.563 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.46 -177.14 0.45 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 120.22 5.97 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.586 1.835 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.09 26.69 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 -179.993 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.721 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t -168.98 105.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.654 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.04 -170.97 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.051 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.618 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.69 39.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.789 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.98 -91.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.905 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -100.84 38.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.618 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 pp20? -39.19 -26.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.18 -61.92 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -136.76 14.69 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.381 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -90.58 -80.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 -179.975 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' 1' ' 54' ' ' GLU . 6.0 t -46.9 -32.32 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.442 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.056 179.948 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' 1' 1 ' 2' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.4 tt0 -89.58 61.23 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 3' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' 1' ' 3' ' ' TYR . 22.1 p90 -67.67 66.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 4' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 53.8 t -117.83 -61.51 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.29 4.81 7.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 1' 1 ' 6' ' ' LEU . . . . . 0.65 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -143.37 15.07 1.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 0.763 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 1.4 p -74.99 -171.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.927 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 1' 1 ' 8' ' ' ALA . . . . . 0.936 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -71.38 -6.58 41.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -100.78 -5.07 26.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 1' 1 ' 10' ' ' GLN . . . . . 0.613 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 2.2 pt20 -64.99 -37.88 89.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 11' ' ' CYS . . . . . 0.667 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 19.7 t -64.29 -8.2 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.322 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 12' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -108.67 17.01 22.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 13' ' ' VAL . . . . . 0.931 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.48 167.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 14' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.89 27.96 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 15' ' ' ALA . . . . . 1.002 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 53.14 72.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.387 -179.899 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 16' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 164.98 41.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 17' ' ' ASP . . . . . 0.704 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 8.3 t70 -158.28 9.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.4 mtt180 -91.18 177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 19' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.73 20.04 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.73 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 21' ' ' CYS . . . . . 0.571 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.3 t -52.15 -34.35 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.383 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 64.58 2.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 1' 1 ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.25 140.59 24.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.995 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -2.05 12.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -130.47 19.4 5.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.666 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 1' 1 ' 26' ' ' VAL . . . . . 0.575 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.29 128.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.366 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 27' ' ' THR . . . . . 0.708 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -163.34 152.2 12.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.432 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 51.81 2.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 29' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.71 -21.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 30' ' ' GLU . . . . . 0.708 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -95.46 -43.46 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 31' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 40.6 m -56.36 -50.7 70.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 32' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.3 m120 -69.05 -3.43 13.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 28.1 t30 -104.42 -27.35 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 34' ' ' ARG . . . . . 0.641 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.49 -26.17 28.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.99 23.55 2.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 36.8 m -120.93 -177.54 3.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 6.6 t -126.91 126.4 43.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 55.7 t80 -89.56 123.1 33.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.6 t70 -91.3 -82.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 40' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 1.0 OUTLIER 88.9 -15.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -58.53 -60.53 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 1' 1 ' 42' ' ' ILE . . . . . 0.653 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -110.45 126.54 28.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.921 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -13.09 21.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.9 -8.85 64.64 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 1' 1 ' 45' ' ' VAL . . . . . 1.002 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -107.01 169.5 6.7 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 46' ' ' PRO . . . . . 0.877 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 113.02 3.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 47' ' ' TRP . . . . . 0.422 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.41 28.65 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 108.027 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 48' ' ' CYS . . . . . 0.571 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 11.6 t -169.79 98.92 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.84 -169.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 50' ' ' LYS . . . . . 0.606 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.55 68.5 21.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 51' ' ' PRO . . . . . 0.667 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.94 -99.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 52' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -88.11 32.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.2 mm100 -55.86 -21.19 18.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 54' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -44.8 -23.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.0 110.376 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 55' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.83 -64.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.52 22.43 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -102.24 -55.06 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.36 179.912 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 1' 1 ' 58' ' ' THR . . . . . 0.577 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 4.0 t -64.51 -41.45 96.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 1' 1 ' 59' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.8 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 2' 2 ' 1' ' ' GLU . . . . . 0.402 ' HB2' ' CE2' ' 2' ' 3' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -90.19 73.28 7.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 2' 2 ' 3' ' ' TYR . . . . . 0.452 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -91.65 72.03 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 4' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -131.29 -57.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 5' ' ' GLY . . . . . 0.799 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -68.42 6.62 3.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 6' ' ' LEU . . . . . 0.799 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -155.65 29.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 0.724 . . . . 0.0 109.303 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 7' ' ' SER . . . . . 0.405 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.1 OUTLIER -107.87 160.47 15.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.011 179.955 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 8' ' ' ALA . . . . . 0.749 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -59.15 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 9' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER 161.6 -23.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.355 1.034 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 10' ' ' GLN . . . . . 0.614 ' OE1' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -59.68 -34.76 73.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 110.345 179.963 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 11' ' ' CYS . . . . . 0.629 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 46.0 t -75.88 -0.26 20.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 12' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -111.19 6.7 20.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 13' ' ' VAL . . . . . 0.94 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.89 162.94 0.1 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.977 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 14' ' ' PRO . . . . . 0.94 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -74.96 27.41 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 0.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 15' ' ' ALA . . . . . 1.139 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 49.1 69.93 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 16' ' ' LYS . . . . . 0.53 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 167.84 49.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.971 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 17' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.8 t0 -164.52 -28.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 18' ' ' ARG . . . . . 0.649 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 14.3 mtt180 -47.06 175.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 19' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.0 t -108.16 19.43 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.0 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.3 t -41.49 -40.18 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.26 47.72 85.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.563 1.164 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -91.96 132.68 32.08 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.553 0.796 . . . . 0.0 110.98 179.993 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -4.1 14.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.39 13.07 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.615 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 26' ' ' VAL . . . . . 0.605 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -40.53 128.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.188 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 27' ' ' THR . . . . . 0.604 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -166.34 154.31 9.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 28' ' ' PRO . . . . . 0.584 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.01 47.09 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.0 tttt -179.26 -15.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 30' ' ' GLU . . . . . 0.604 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -100.64 -44.5 5.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 110.28 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.9 m -56.92 -56.09 26.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.145 . . . . 0.0 108.24 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 32' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 2.4 m120 -61.44 -13.43 20.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 2' 2 ' 34' ' ' ARG . . . . . 0.577 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -88.13 -24.94 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.43 21.9 3.89 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 5.6 m -121.49 174.81 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 37' ' ' CYS . . . . . 0.542 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.49 133.09 56.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 38' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.0 t80 -88.85 124.56 34.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 39' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -68.44 -98.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 40' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.7 t 93.31 -11.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 41' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 3.5 mtp-105 -91.12 -59.07 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 42' ' ' ILE . . . . . 0.838 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -109.25 118.32 51.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -11.63 21.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.77 -8.65 65.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 2' 2 ' 45' ' ' VAL . . . . . 1.139 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -105.88 170.84 5.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.01 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 47' ' ' TRP . . . . . 0.523 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.32 30.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 108.036 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 1.8 t -169.35 95.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.11 -175.36 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 50' ' ' LYS . . . . . 0.513 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -116.95 70.64 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 51' ' ' PRO . . . . . 0.653 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.97 -105.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 52' ' ' LEU . . . . . 0.749 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -97.69 37.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 20.4 mm100 -43.11 -24.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 54' ' ' GLU . . . . . 0.606 ' O ' HG22 ' 2' ' 58' ' ' THR . 4.8 pt-20 -40.15 -26.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 55' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.99 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -118.8 22.07 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.63 -72.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.308 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' 2' 2 ' 58' ' ' THR . . . . . 0.606 HG22 ' O ' ' 2' ' 54' ' ' GLU . 12.6 t -47.28 -29.29 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.935 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 50.9 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' NH1' HG13 ' 1' ' 45' ' ' VAL . 5.8 mtt180 -92.13 -178.44 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.6 t -116.28 19.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.32 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.61 -34.54 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.252 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.63 56.31 25.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.0 OUTLIER -91.75 141.16 25.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.941 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -128.72 44.41 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -62.76 122.12 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.68 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.55 154.29 6.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.476 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.06 55.25 3.92 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER -178.36 -26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.68 ' H ' HG22 ' 1' ' 27' ' ' THR . 3.1 mt-10 -95.35 -47.63 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.7 -55.92 19.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -61.99 -6.79 3.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.3 t30 -106.0 -26.93 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.5 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.83 -30.48 22.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.54 22.73 1.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 75.4 m -121.7 175.63 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.6 t -122.3 126.44 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.5 t80 -90.76 122.91 33.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.1 t70 -91.12 -83.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 89.14 -16.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.75 -58.03 9.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 43' ' ' PRO . 0.2 OUTLIER -114.75 129.79 24.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.4 Cg_endo -75.04 -14.79 20.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.08 -8.11 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.58 169.11 7.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.01 114.01 3.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.469 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.54 28.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.638 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 38.0 t -170.81 103.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.339 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.659 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.14 -170.14 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.661 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.08 68.9 27.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.637 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.03 -97.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.746 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.876 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.37 31.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.661 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.1 mm-40 -54.06 -23.99 15.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' 1' ' 58' ' ' THR . 3.5 tt0 -39.2 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.34 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.25 25.34 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' HG2' ' 2' ' 50' ' ' LYS . 4.5 t -104.98 -64.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.465 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.7 t -55.92 -46.54 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 t0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.658 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.5 mtt180 -90.86 176.46 6.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.5 t -105.72 18.55 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.606 1.191 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 86.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.9 t -42.39 -40.11 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.59 50.54 66.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.672 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -92.82 135.17 26.46 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 25.19 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -52.48 129.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.623 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.18 155.47 6.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.96 47.91 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -177.95 -17.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.623 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -100.26 -46.88 5.13 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.556 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.3 m -57.85 -56.24 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 108.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -59.65 -13.86 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -97.83 -25.2 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -86.63 -24.44 25.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.502 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.83 22.77 3.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.128 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 5.3 m -121.03 177.15 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.2 t -123.1 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 108.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 55.5 t80 -92.8 119.4 32.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.48 -83.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.83 -24.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -64.81 -43.39 93.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.77 106.04 40.0 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -2.67 12.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.808 . . . . 0.0 111.068 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.71 -6.08 64.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.61 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.54 -176.12 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 118.65 5.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.16 28.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 107.994 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.637 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 33.8 t -168.89 101.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.671 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -170.91 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.504 ' CE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -116.78 67.87 4.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.645 ' HD3' ' C ' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -105.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.837 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -94.3 40.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.524 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 30.8 mm100 -46.91 -22.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.809 ' HG2' HG21 ' 2' ' 58' ' ' THR . 1.2 mt-10 -37.77 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.4 -70.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.5 mp0 -135.61 19.6 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.88 -63.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.809 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 15.2 t -57.04 -33.07 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.6 mtt180 -87.73 173.13 9.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 8.8 t -101.7 19.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.84 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.2 OUTLIER -49.92 -35.89 25.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.243 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.85 60.51 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.73 146.24 33.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.28 19.86 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -127.72 29.32 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.7 p -53.61 127.4 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.609 HG21 ' OE1' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.66 155.21 6.87 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.582 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 55.04 3.84 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.97 -21.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.609 ' OE1' HG21 ' 1' ' 27' ' ' THR . 1.7 mp0 -99.04 -47.6 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 11.1 m -56.11 -52.4 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 108.274 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -66.39 -3.78 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 42.5 t-20 -105.55 -27.91 11.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.573 ' CD ' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.35 -22.69 30.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.16 25.51 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 26.6 m -120.62 -178.01 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -129.41 122.87 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 69.9 t80 -87.8 122.02 30.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 20.2 t70 -91.11 -83.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.61 -17.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.971 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -60.68 -43.97 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.07 112.95 33.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -6.99 18.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.585 1.834 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.67 -4.9 63.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.631 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.4 m -120.34 -178.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.631 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.9 116.69 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.25 27.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.676 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 42.6 t -171.0 110.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.3 OUTLIER -148.88 -170.35 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.32 71.74 12.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.41 32.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.595 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.0 mm-40 -53.63 -20.33 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.244 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.545 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.99 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 24.11 7.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 1.8 t -106.03 -51.1 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.545 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.4 t -85.23 -37.81 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.9 mtt180 -90.79 178.76 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -110.5 21.57 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.1 t0 32.52 87.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 7.5 t -49.32 -36.95 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.67 53.11 48.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.58 139.38 29.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -10.47 21.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -122.86 30.42 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.62 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.9 OUTLIER -50.25 120.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.61 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.71 153.96 6.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.457 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 51.31 2.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 7.6 tttt -174.83 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.61 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -98.36 -45.56 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.234 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.1 m -63.29 -55.69 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.34 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.75 -5.3 3.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.9 t30 -104.87 -29.12 10.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' 2' ' 31' ' ' CYS . 0.0 OUTLIER -86.77 -31.93 20.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 128.61 25.11 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.095 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 90.3 m -122.48 168.59 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.1 t -115.21 129.6 56.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.507 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 47.4 t80 -94.77 119.47 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.538 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.27 -83.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.538 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.2 t 86.1 -24.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -65.43 -43.22 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.412 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER -121.22 106.77 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.42 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.09 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.512 1.796 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.04 -6.69 66.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.595 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.32 -175.64 0.36 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 121.4 6.52 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.62 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.97 27.21 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 107.979 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 25.8 t -168.52 101.48 0.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.392 1.057 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.43 -168.77 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.44 68.44 39.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.97 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.87 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.06 35.53 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 36.7 mm-40 -53.84 -19.3 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.4 OUTLIER -44.85 -19.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.15 -63.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -144.69 16.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.37 -55.13 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 108.34 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 2.7 t -64.9 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.05 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.595 ' NH1' HG23 ' 1' ' 45' ' ' VAL . 3.2 mtt180 -91.06 179.9 5.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -111.69 19.13 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 34.96 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -51.92 -34.22 40.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.1 57.66 18.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -91.01 144.2 29.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -12.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.08 45.02 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.743 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -61.45 120.99 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.539 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -170.17 154.18 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.444 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 58.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.584 1.834 . . . . 0.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -178.99 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.528 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -97.61 -46.43 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.18 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.35 -54.67 29.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -64.06 -4.77 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 24.2 t30 -107.39 -27.42 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.49 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.55 -30.76 23.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.606 1.191 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.78 23.59 1.17 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -121.47 176.26 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.551 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -123.29 123.4 40.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 108.361 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 58.4 t80 -90.1 120.79 31.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.8 t70 -86.99 -82.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.567 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 86.33 -14.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -64.4 -45.38 87.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.533 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -121.9 116.88 29.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.04 19.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.64 -2.95 64.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.595 HG23 ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.65 178.41 1.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 115.44 4.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.466 1.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.454 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -88.5 27.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.089 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.743 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 48.6 t -170.98 107.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.397 1.061 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.39 -169.0 2.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.48 69.34 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -98.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.375 1.724 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.38 32.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.229 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.1 mm-40 -55.22 -22.67 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.2 OUTLIER -40.37 -26.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.71 -72.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 109.215 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.32 24.88 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.69 -58.07 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 108.319 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.5 t -66.81 -42.34 86.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.0 mtt180 -87.03 176.11 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -105.84 19.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 29.98 87.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -47.33 -33.98 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.337 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.44 49.37 77.2 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.543 1.152 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.428 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -86.87 133.93 38.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.734 . . . . 0.0 110.961 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.86 25.34 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.735 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.2 p -45.75 121.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -168.5 152.89 5.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.498 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -74.98 49.12 2.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -175.82 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -97.36 -45.53 6.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 17.7 m -62.33 -56.15 21.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.53 -6.95 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.9 t30 -100.63 -30.98 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -85.95 -29.82 23.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 126.12 24.27 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 63.4 m -121.48 166.68 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 1.8 t -114.96 130.4 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.72 ' CE2' HG22 ' 2' ' 26' ' ' VAL . 9.0 t80 -99.37 118.33 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.1 t70 -81.58 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER 87.15 -14.57 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -68.14 -43.23 78.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.542 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 0.3 OUTLIER -120.06 111.76 35.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.31 -2.56 60.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.563 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -119.75 179.93 0.8 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 115.09 4.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.735 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.63 28.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 108.02 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 23.2 t -169.53 102.08 0.33 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.544 1.152 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.63 -170.95 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.411 ' HG3' ' HG3' ' 2' ' 53' ' ' GLN . 2.9 mppt? -120.22 69.08 14.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.608 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -104.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.606 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -95.7 42.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' 2' ' 35' ' ' GLY . 21.4 mm100 -52.1 -18.96 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.53 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.96 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.95 -65.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.1 23.61 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -102.64 -54.91 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.283 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.53 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 7.2 t -66.0 -41.87 90.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 20.5 mtt180 -86.79 173.4 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.529 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.9 t -103.59 19.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.0 OUTLIER 30.81 90.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.28 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.33 -34.89 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.46 55.31 30.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.524 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -89.07 142.35 30.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.471 0.748 . . . . 0.0 110.952 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.81 37.63 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.573 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.1 p -56.08 118.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.459 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.21 153.25 7.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 59.03 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.7 OUTLIER 178.69 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -97.16 -46.26 6.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.0 m -63.82 -57.1 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -61.55 -7.1 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.1 t30 -106.09 -25.64 11.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.536 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.15 -26.04 22.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.231 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.81 21.92 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 81.8 m -120.03 173.91 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -121.27 122.65 40.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 108.355 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 74.0 t80 -90.46 121.64 32.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.187 . . . . 0.0 110.943 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 14.6 t70 -90.09 -84.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 89.16 -18.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.925 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -60.44 -44.96 95.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -120.76 113.58 33.1 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.21 18.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.53 -4.21 64.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.596 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.01 -179.27 0.68 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.596 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 117.66 4.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.581 1.832 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.517 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.24 27.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.704 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 44.3 t -170.98 107.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -142.27 -169.84 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.5 69.19 22.52 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.6 Cg_endo -74.92 -98.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.452 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -93.53 35.13 1.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.586 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 46.5 mm-40 -57.58 -18.89 22.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.436 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.51 -23.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -47.72 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.29 26.75 9.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 45.5 t -105.58 -74.43 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 1.5 t -68.6 -30.12 68.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' 1' ' 58' ' ' THR . 20.4 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 t70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 14.7 mtt180 -90.58 176.27 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.54 ' O ' HG12 ' 2' ' 19' ' ' VAL . 39.1 t -107.43 19.11 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 32.18 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -52.64 -33.59 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.33 56.35 23.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -89.81 141.87 28.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.96 -12.38 21.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -123.1 32.72 5.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.525 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -51.25 118.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.578 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -170.04 155.09 5.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttt -173.06 -24.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.578 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -98.99 -44.76 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.386 1.054 . . . . 0.0 110.253 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 13.3 m -65.02 -53.59 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -65.69 -4.99 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 21.9 t30 -105.59 -27.9 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.475 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.99 -31.19 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.495 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 127.54 24.49 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.9 m -121.59 168.61 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 5.6 t -115.02 125.67 53.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 70.4 t80 -92.58 121.22 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.5 t70 -88.6 -83.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.11 -14.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -64.56 -45.73 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.466 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -121.41 113.94 31.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.92 16.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.44 -4.57 62.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.555 HG23 ' NH1' ' 2' ' 18' ' ' ARG . 1.0 OUTLIER -120.75 -179.25 0.69 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.556 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.14 27.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 107.997 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.688 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 46.0 t -169.89 104.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.688 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.87 -167.91 2.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.539 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.19 62.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.67 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -95.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.068 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.563 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -99.66 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 21.5 mm100 -49.75 -19.08 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.669 ' HA ' HG22 ' 2' ' 58' ' ' THR . 23.0 mt-10 -41.98 -24.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.13 -69.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -138.54 22.49 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.09 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.669 HG22 ' HA ' ' 2' ' 54' ' ' GLU . 10.1 t -61.31 -38.32 86.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.5 mtt180 -89.52 170.67 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.583 ' O ' HG12 ' 1' ' 19' ' ' VAL . 51.3 t -101.18 19.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 31.03 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.48 -35.65 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.82 34.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.404 1.065 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -89.32 141.36 28.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -11.79 21.52 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -123.68 34.3 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -52.88 118.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.92 154.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 57.18 4.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.0 ttpt -179.42 -25.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -97.66 -45.39 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 6.6 m -64.44 -55.66 19.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -63.52 -5.55 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 21.5 t30 -106.01 -27.9 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.66 -30.19 23.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.45 24.04 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 85.0 m -121.59 175.15 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.533 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.9 t -121.18 123.53 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.9 t80 -91.0 121.77 33.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.8 t70 -90.03 -84.52 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.54 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -60.8 -45.22 95.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.7 111.85 34.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.63 -5.09 60.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.606 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.2 m -120.61 -177.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.606 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 117.07 4.78 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.6 27.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.686 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.8 t -170.79 106.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.36 -169.62 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.3 OUTLIER -121.87 69.5 26.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.605 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.03 -100.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 35.02 1.02 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.563 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 42.1 mm-40 -54.56 -18.45 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.427 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 1.9 pt-20 -42.82 -25.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.87 -70.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.1 mm-40 -129.08 25.72 5.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 3.6 t -105.28 -58.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.45 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.1 t -63.69 -42.91 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.4 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 44.4 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.1 mtt180 -91.97 178.38 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.0 t -108.14 18.97 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.63 84.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.568 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -47.47 -36.01 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.256 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.59 58.21 13.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.629 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.73 139.99 26.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.8 t-80 -126.21 13.58 7.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.621 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.79 126.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.624 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -167.81 153.14 6.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.97 47.61 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.43 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 3.1 tttp -178.54 -17.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.624 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -98.67 -45.08 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 58.9 m -55.34 -55.03 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.27 -12.78 14.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.402 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 19.7 t-20 -92.84 -31.46 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.629 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.6 -25.95 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.23 24.81 2.87 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.9 m -121.2 169.6 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.502 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.3 t -113.32 133.18 55.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 108.217 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 37.9 t80 -96.79 117.34 30.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.566 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -76.07 -83.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 86.62 -23.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -65.09 -44.41 88.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.66 106.78 39.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.443 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.5 Cg_endo -74.97 -2.03 11.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.23 -5.96 65.16 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.89 -176.53 0.42 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 118.63 5.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.498 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.59 30.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.667 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 8.7 t -166.75 106.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.412 1.07 . . . . 0.0 108.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -145.4 -169.53 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.33 69.9 52.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.612 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.97 -94.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.531 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -99.32 37.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.591 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.5 mm100 -51.75 -19.51 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.5 pt-20 -42.54 -23.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.08 -68.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.88 21.3 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.2 OUTLIER -99.31 -54.83 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.264 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.446 HG22 ' O ' ' 2' ' 54' ' ' GLU . 7.0 t -60.29 -37.27 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 1' ' 50' ' ' LYS . 17.3 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.63 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 5.5 mtt180 -92.04 170.86 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.3 t -104.16 19.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.71 88.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.52 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -50.56 -37.35 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.15 60.75 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.46 145.64 31.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 111.043 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -9.31 20.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -125.19 23.62 7.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.607 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -47.92 125.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.529 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.22 155.33 8.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.578 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 54.75 3.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.26 -20.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.529 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -100.14 -44.56 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.0 m -56.6 -51.77 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.42 -2.32 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 49.3 t-20 -105.14 -27.46 11.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.585 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.5 -23.88 27.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.45 26.69 2.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 39.5 m -119.88 -177.34 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.547 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.7 t -128.88 124.71 35.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 78.5 t80 -88.28 121.42 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.0 t70 -89.76 -84.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.57 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.0 -15.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.935 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -61.32 -46.47 90.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.526 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.8 OUTLIER -120.54 115.69 32.33 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.526 1.142 . . . . 0.0 109.338 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -6.68 18.32 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -4.72 61.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -118.63 -179.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.544 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.02 117.21 4.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.93 28.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.568 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.5 t -171.74 111.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.645 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -149.11 -170.56 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.08 14.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.645 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.92 -97.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.51 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.7 OUTLIER -92.18 31.55 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.9 mm100 -53.92 -20.92 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.91 -26.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.67 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 3.5 mt-10 -124.38 24.62 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.509 ' HA ' ' HZ3' ' 2' ' 50' ' ' LYS . 3.2 t -105.52 -54.33 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.458 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.8 t -82.31 -29.93 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 11.7 mtt180 -90.95 171.6 9.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.2 t -98.2 14.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 34.51 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -51.37 -36.84 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 108.302 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.25 59.63 8.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.647 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.18 139.9 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.61 0.829 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.528 ' CD2' ' OE2' ' 2' ' 30' ' ' GLU . 0.1 OUTLIER -125.6 13.37 8.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.64 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.97 126.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.61 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.75 155.23 6.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.43 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.498 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.99 47.87 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER -179.09 -15.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.61 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mt-10 -100.98 -45.64 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.4 m -55.68 -55.25 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.9 -12.43 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -93.46 -30.18 15.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.647 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.89 -25.15 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.334 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.99 24.2 3.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.6 m -121.71 171.96 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.0 t -117.15 129.2 55.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 108.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 67.8 t80 -93.41 121.13 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 21.9 t70 -88.49 -83.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 89.06 -17.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -62.1 -43.07 99.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.09 109.31 33.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.434 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -4.96 16.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -6.68 64.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.568 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.0 -176.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.03 118.28 5.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 29.47 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.028 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.622 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 12.5 t -168.79 105.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.639 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.53 -167.77 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -120.74 69.77 17.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.639 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -97.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.885 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.2 34.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.9 mm100 -49.84 -20.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.4 pt-20 -37.5 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.3 -59.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.37 15.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.5 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.71 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.428 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 13.9 t -54.08 -45.74 71.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.507 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 37.0 t0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.632 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 14.4 mtt180 -49.89 -179.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' HG12 ' 1' ' 19' ' ' VAL . 21.7 t -114.97 19.75 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 33.38 87.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.1 -35.84 17.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.148 . . . . 0.0 108.315 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.45 60.69 7.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.642 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.38 140.42 24.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -6.75 18.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -122.04 13.17 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.581 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.579 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -36.83 128.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.694 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.05 153.27 7.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.405 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 51.94 2.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.23 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.694 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -96.41 -44.55 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.2 m -55.99 -50.93 69.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -69.56 -1.63 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.5 t-20 -105.3 -29.05 10.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.642 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.22 -24.73 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.43 25.37 2.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 33.8 m -119.93 179.79 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.3 t -125.29 124.0 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 61.4 t80 -89.39 122.03 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.3 t70 -90.34 -83.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -16.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -58.56 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -119.67 124.25 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.83 21.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.97 -10.07 65.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.168 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.916 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.11 170.26 5.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.422 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.48 29.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.563 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 13.9 t -170.23 103.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -142.87 -171.8 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.611 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 70.71 24.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -98.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.83 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.55 34.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.611 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 47.7 mm-40 -55.05 -23.32 19.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -40.6 -26.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.98 -71.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.44 27.41 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.9 t -106.18 -57.91 1.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -71.78 -49.25 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.564 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.7 mtt180 -89.97 -179.29 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.516 ' O ' HG12 ' 2' ' 19' ' ' VAL . 26.1 t -112.49 20.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.88 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.2 -34.45 57.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 108.294 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.95 56.45 23.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.412 ' CE1' ' NE ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.72 142.14 28.98 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.05 -11.36 21.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -123.42 30.29 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.564 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -49.31 116.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.59 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.91 154.79 8.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.527 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 50.27 2.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.3 OUTLIER -172.8 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.59 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -99.17 -45.19 5.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 110.208 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 15.1 m -62.81 -55.94 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.342 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.81 -6.66 6.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -101.87 -29.42 11.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.448 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -31.65 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.517 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 128.5 24.04 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 75.6 m -120.54 166.77 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.486 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 4.1 t -113.82 128.64 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.527 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 45.6 t80 -93.82 120.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.581 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -82.7 -83.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.581 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 85.5 -22.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -65.41 -42.61 92.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.88 106.87 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.24 -6.37 64.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.601 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.63 -175.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.601 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 118.91 5.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.539 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.13 27.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.013 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.69 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 28.9 t -168.23 104.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.679 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.28 -168.16 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.575 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.86 68.51 62.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.64 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.98 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.462 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -98.28 38.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.575 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.1 mm100 -47.22 -20.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.5 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -37.38 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.31 -70.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -131.69 17.95 4.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.07 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.55 -77.27 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.5 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.0 t -40.35 -41.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . 0.43 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 10.4 t70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.0 mtt180 -47.48 176.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 5.0 t -110.63 20.95 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.57 91.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.23 -34.89 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 108.332 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.21 55.24 31.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.089 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.38 140.77 27.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.03 -6.48 18.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.19 43.35 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.624 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.7 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.4 p -61.15 120.45 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.487 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.04 153.04 7.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.59 4.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER 179.35 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -96.6 -46.11 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.203 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 2.3 m -63.59 -56.29 17.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -62.4 -7.11 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.7 t30 -105.24 -26.31 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.53 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -86.7 -25.69 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.515 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.14 22.51 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 78.7 m -119.44 177.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -124.63 124.68 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.257 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 57.3 t80 -90.37 119.91 31.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.13 -83.9 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 85.63 -22.96 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.95 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -65.87 -43.15 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -121.34 107.74 36.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -4.77 15.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.49 -6.92 67.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.623 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.84 -175.13 0.33 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.623 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 122.98 7.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.501 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -93.97 25.48 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.7 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.6 t -167.7 104.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.643 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -141.04 -170.07 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.648 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.66 69.59 45.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.623 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -97.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.99 32.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.648 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.3 mm100 -52.66 -19.89 2.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.4 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.31 23.97 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.33 -54.81 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.5 ' HA ' ' NE2' ' 2' ' 53' ' ' GLN . 0.9 OUTLIER -90.11 -13.05 36.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 1' ' 58' ' ' THR . 5.8 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.3 mtt180 -91.5 -178.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.9 t -111.34 19.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 32.62 87.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.62 -33.28 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 108.283 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.55 61.97 1.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.606 ' CE2' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.91 148.02 37.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.96 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -5.74 17.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.24 15.51 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -42.77 121.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.752 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -163.95 158.51 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.415 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.97 48.16 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.426 1.751 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -179.88 -22.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.752 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -93.49 -43.36 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.8 m -55.43 -57.54 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -60.09 -15.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.517 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 6.9 t30 -85.07 -36.37 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.606 ' CD ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -80.82 -24.56 38.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.6 19.16 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.2 m -107.31 178.39 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -124.63 125.25 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 56.6 t80 -88.83 122.62 32.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -87.14 -82.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 84.21 -23.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 110.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -62.78 -41.43 99.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.41 107.51 34.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.65 -7.68 64.59 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.61 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.1 -175.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.99 117.5 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 111.036 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.1 28.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.703 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 19.5 t -171.27 108.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.0 -169.16 2.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.57 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.55 67.96 29.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.98 -96.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.478 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -102.2 41.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.624 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -41.87 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -43.12 -23.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.07 -62.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -149.12 19.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -69.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.1 t -51.65 -43.32 62.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.591 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 13.8 mtt180 -90.15 168.51 11.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -96.3 17.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.84 88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -51.81 -36.51 48.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.88 60.77 4.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.47 145.56 31.58 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.06 21.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -118.28 10.8 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.586 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.3 p -36.05 126.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.683 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.27 154.75 9.85 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 53.43 3.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.1 -22.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.683 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -95.45 -43.48 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.2 m -56.03 -53.3 58.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -66.17 -5.64 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.1 t-20 -99.81 -30.85 11.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.615 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.88 -22.96 33.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.42 25.88 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 24.2 m -118.51 -179.38 3.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 2.6 t -126.72 121.76 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 108.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 69.2 t80 -87.96 121.15 30.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.8 t70 -89.82 -84.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.613 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 89.69 -16.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -62.35 -42.54 99.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.403 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.6 109.54 34.39 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.0 Cg_endo -75.02 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.38 -5.96 61.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.574 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.93 -176.55 0.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 116.31 4.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 29.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.8 t -171.25 110.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.591 ' CB ' ' HB3' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.25 -169.66 3.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.19 71.82 17.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.589 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.01 -102.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.47 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -91.69 34.86 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.552 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.3 mm-40 -52.19 -19.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.1 OUTLIER -40.71 -26.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.1 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.426 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 6.5 mt-10 -124.41 25.63 7.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.28 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.5 t -103.95 -64.18 1.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.452 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -61.17 -28.75 69.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 10.0 mtt180 -91.36 172.63 8.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -100.24 16.37 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 34.05 83.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.546 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.69 -34.52 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.76 61.53 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.088 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.616 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.58 144.25 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 0.814 . . . . 0.0 110.941 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.09 19.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.9 m80 -120.9 10.76 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.632 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.773 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -35.81 123.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.1 154.35 8.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.11 2.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.404 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 14.7 tttt -178.09 -18.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.589 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -100.06 -44.67 5.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.4 m -55.78 -55.27 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.01 -12.57 19.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.09 -28.14 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.616 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.78 -25.15 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 118.26 24.27 3.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 47.9 m -121.87 170.22 10.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.513 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -116.17 128.57 55.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 51.0 t80 -96.24 118.32 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.2 t70 -84.77 -80.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.85 -15.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -66.81 -40.66 88.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 mt -121.89 108.18 35.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -3.9 14.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.22 -7.19 62.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.599 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.08 -177.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.51 28.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 107.986 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.773 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.7 t -169.68 107.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.66 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -146.6 -168.32 2.99 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 70.57 21.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.66 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -95.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.831 . . . . 0.0 111.04 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.38 40.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.547 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.5 mm-40 -56.37 -13.27 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -51.6 -17.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -33.82 -67.81 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' 2' ' 59' ' ' PHE . 34.9 mt-10 -138.76 11.4 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -89.34 -61.17 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.409 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.472 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 4.9 t -61.34 -25.66 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 20.6 t70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.1 mtt180 -46.09 174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.663 ' O ' HG12 ' 1' ' 19' ' ' VAL . 98.0 t -110.28 19.04 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.13 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -55.77 -34.53 65.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.356 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.0 55.77 28.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.554 1.159 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.61 142.24 27.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 -9.95 21.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -127.92 40.52 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.1 p -58.07 118.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.514 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -169.35 154.61 5.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.444 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 57.92 4.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.1 ttpm? -179.2 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.514 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -98.18 -46.49 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -64.32 -55.14 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -63.87 -5.16 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.2 t30 -106.7 -27.49 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.358 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.532 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.86 -30.34 22.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 128.24 22.91 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 75.3 m -120.76 174.57 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.508 ' HB2' ' CD ' ' 1' ' 51' ' ' PRO . 3.1 t -120.9 125.58 47.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.41 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.8 t80 -91.12 120.72 32.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.8 t70 -87.21 -84.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.553 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.63 -16.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -62.06 -46.62 88.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.588 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.7 OUTLIER -120.74 116.86 31.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.22 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.56 20.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.97 -3.64 65.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.588 HG13 ' HB ' ' 1' ' 42' ' ' ILE . 1.0 OUTLIER -119.02 -179.74 0.73 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.548 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 119.63 5.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.769 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.474 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -92.3 25.22 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.724 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 44.7 t -169.22 110.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 108.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.636 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -145.86 -169.97 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.58 70.38 46.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.631 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.38 34.63 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.4 mm100 -50.36 -25.67 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.535 ' HA ' ' H ' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -35.33 -30.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.26 -64.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.57 8.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' 1' ' 53' ' ' GLN . 0.8 OUTLIER -92.79 -90.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 108.256 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.535 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 1.2 t -43.88 -27.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.471 ' C ' ' O ' ' 1' ' 58' ' ' THR . 32.0 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 17.4 mtt180 -89.71 175.51 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.57 ' O ' HG12 ' 2' ' 19' ' ' VAL . 47.0 t -105.29 19.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 32.61 90.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 5.1 t -51.14 -36.72 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.355 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.59 84.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.409 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -83.56 138.54 41.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -8.43 20.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.576 1.83 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.67 24.52 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.569 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.683 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.8 OUTLIER -43.71 116.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.604 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.33 153.46 10.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 51.66 2.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.8 tttt -175.44 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.604 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -98.27 -44.07 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.3 m -61.89 -56.5 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 108.343 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.74 -5.32 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.2 t30 -103.57 -27.44 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.509 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -88.23 -31.04 19.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.76 22.48 1.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.0 m -120.16 172.88 7.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.6 OUTLIER -120.49 126.38 50.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 108.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.642 ' HE2' HG22 ' 2' ' 26' ' ' VAL . 30.7 t80 -91.78 123.78 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.5 t70 -88.47 -83.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 87.88 -15.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -68.86 -41.87 77.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.502 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.0 OUTLIER -120.73 111.81 34.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.28 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.57 -3.52 62.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.536 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER -119.67 -179.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 117.16 4.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.683 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.89 26.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.615 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 33.0 t -171.38 102.67 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 108.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -136.54 -169.42 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 67.18 31.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.699 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.93 -91.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.449 1.762 . . . . 0.0 111.05 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.919 HD13 ' C ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -105.36 26.14 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -48.97 -20.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER -38.63 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -36.98 -72.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 10.5 pt-20 -116.7 18.65 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -102.9 -54.94 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 108.278 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.479 ' HB ' ' HA ' ' 2' ' 54' ' ' GLU . 0.7 OUTLIER -76.47 -41.45 47.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.411 1.069 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.1 mtt180 -87.93 -176.47 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.0 t -113.24 22.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.543 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 29.2 87.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -49.61 -33.6 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 56.7 19.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -89.77 140.41 27.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 111.04 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.99 -6.04 17.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 37.46 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.625 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -57.46 121.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.722 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -164.64 153.01 10.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.435 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 55.01 3.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.4 tttt 178.82 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.722 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -93.88 -46.4 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.16 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -60.06 -7.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.5 t30 -106.12 -25.95 11.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.55 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -26.24 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 124.55 21.14 2.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 92.6 m -120.36 171.09 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.558 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.4 t -118.66 127.74 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 31.9 t80 -89.69 124.72 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 42.3 t0 -81.18 -86.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.8 t 87.84 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 11.0 mtp85 -65.26 -40.97 94.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.418 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -120.82 102.91 43.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.376 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.09 -3.8 14.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.24 -5.09 64.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.102 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.604 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.44 -175.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 119.98 5.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.492 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -92.57 29.9 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.625 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 34.6 t -168.5 102.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 108.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.685 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -135.72 -169.61 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.634 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.87 67.69 42.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.98 -98.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.816 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.867 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.04 33.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.4 mm-40 -58.1 -26.01 62.06 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -41.44 -25.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.16 -64.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -134.5 24.56 3.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -103.72 -55.17 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 108.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.583 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.3 t -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' 1' ' 58' ' ' THR . 18.8 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.1 mtt180 -89.76 177.27 6.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.4 t -108.84 20.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.9 89.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.4 OUTLIER -52.5 -32.87 42.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 54.88 31.01 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.62 139.88 29.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.779 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -9.41 20.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -123.13 28.03 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.683 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -47.45 119.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.593 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -169.57 154.65 5.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.473 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 51.38 2.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 5.6 tttt -174.36 -23.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.593 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -98.29 -45.76 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 26.6 m -62.79 -56.2 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 108.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.48 -5.84 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 18.4 t30 -103.99 -28.86 11.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.52 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -87.13 -29.99 21.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.5 1.48 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.0 m -121.18 168.8 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.1 t -114.72 129.03 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 108.371 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.473 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.5 t80 -93.83 119.22 32.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -81.16 -83.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.579 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.77 -23.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -42.14 93.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.447 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.2 mt -120.54 106.57 39.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 -5.89 63.01 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.6 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.29 -175.76 0.37 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.6 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.08 118.76 5.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.593 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.38 27.68 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.052 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.683 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 35.1 t -168.63 104.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -168.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.94 69.16 57.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.616 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.96 -94.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.455 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -98.79 40.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.2 mm100 -55.47 -17.13 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.732 ' HA ' HG22 ' 2' ' 58' ' ' THR . 23.6 mt-10 -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -38.31 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -133.68 26.97 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.02 -66.43 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.732 HG22 ' HA ' ' 2' ' 54' ' ' GLU . 10.2 t -60.29 -38.5 83.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 1.1 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 t0 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 10.3 mtt180 -90.49 174.31 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -109.31 21.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.9 89.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -51.41 -33.4 30.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.306 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.99 57.78 15.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.448 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 143.56 29.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.83 20.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -130.36 44.68 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.706 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -61.71 120.91 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.538 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.96 153.84 5.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.04 58.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.8 OUTLIER 179.38 -26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.538 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -97.25 -46.31 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.4 m -64.04 -56.33 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -62.08 -7.47 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.8 t30 -105.99 -25.15 12.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -87.91 -25.65 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.504 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.34 21.74 2.45 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.617 1.198 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 77.8 m -120.52 175.24 6.09 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.563 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.54 124.95 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 108.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.9 t80 -91.04 122.46 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.5 t70 -90.31 -83.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.13 -16.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.17 -56.36 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -113.4 126.57 27.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.47 20.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.557 1.819 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.72 -9.14 66.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.568 1.168 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.901 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.8 169.51 6.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.901 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.489 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.03 28.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.002 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.706 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 37.9 t -170.99 103.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 108.252 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -139.42 -169.34 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.35 68.65 29.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.645 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.13 -97.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.407 1.74 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.802 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -92.85 32.04 1.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.2 mm-40 -56.19 -22.4 28.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.437 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.93 -25.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.17 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.2 OUTLIER -124.94 26.01 7.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.27 -57.81 2.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 108.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -67.34 -38.66 85.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -91.48 171.93 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 16.6 t -101.06 18.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.46 85.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.532 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -50.94 -36.95 41.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 60.74 6.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.44 141.11 25.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 111.022 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -125.71 13.75 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.653 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.01 125.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.585 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.88 155.21 7.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.02 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -178.35 -15.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.585 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.9 OUTLIER -101.27 -45.35 5.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.1 m -56.1 -54.77 41.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.06 -11.41 19.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.466 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 32.7 t-20 -95.59 -27.36 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.75 -26.05 23.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.494 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.12 25.43 2.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 53.8 m -122.41 175.69 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -120.62 128.29 52.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 108.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 70.8 t80 -92.78 120.74 33.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -89.46 -82.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 86.98 -15.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.032 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -43.1 94.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.51 111.16 33.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -6.64 18.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.74 -6.18 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.637 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.4 m -121.14 -178.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.225 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.637 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.5 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.442 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.61 27.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 20.2 t -169.39 105.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.661 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -144.11 -168.43 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -119.85 69.53 13.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.661 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.02 -96.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.858 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -95.51 38.14 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.587 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 30.1 mm100 -55.09 -17.68 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' HB2' HG21 ' 2' ' 58' ' ' THR . 11.4 pt-20 -47.35 -21.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.44 -64.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.36 22.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.4 OUTLIER -101.84 -53.02 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.514 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.0 t -62.84 -41.75 99.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.5 mtt180 -87.68 173.11 9.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 ' O ' HG12 ' 1' ' 19' ' ' VAL . 33.6 t -101.7 19.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 29.51 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -48.26 -34.77 10.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 108.361 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.86 61.21 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.39 142.92 27.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 111.075 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.82 18.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.86 18.21 8.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.576 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.17 126.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.636 HG23 ' HD2' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER -164.78 154.3 11.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' 1' ' 27' ' ' THR . 18.1 Cg_endo -75.03 52.45 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.51 -21.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.599 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -95.52 -44.07 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.1 m -56.19 -52.01 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -67.44 -3.44 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.8 t30 -101.3 -33.45 10.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.93 -23.69 41.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.69 25.54 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 27.4 m -117.85 -178.6 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.8 t -127.71 123.68 36.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.3 t80 -87.84 122.39 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 12.7 t70 -90.65 -85.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.598 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 1.1 t 90.58 -19.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 40.7 mtm180 -57.83 -45.93 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -120.62 113.6 33.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.602 1.189 . . . . 0.0 109.366 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.5 16.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.45 -3.91 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.26 -178.73 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.432 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.13 28.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.1 t -170.43 109.35 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -146.8 -170.86 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.57 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.84 72.16 21.74 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.07 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.404 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -94.26 35.5 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.57 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -55.32 -24.68 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.454 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.1 OUTLIER -40.7 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.22 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.45 24.11 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 13.8 t -101.38 -74.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 108.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.47 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 9.2 t -58.91 -25.32 63.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.46 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.6 t80 . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.1 mtt180 -90.72 172.32 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.588 ' O ' HG12 ' 2' ' 19' ' ' VAL . 58.8 t -99.99 18.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 30.51 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.1 -35.99 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 108.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 58.48 12.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.614 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -90.76 139.55 26.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.4 13.92 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -38.64 126.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.807 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.07 153.64 9.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.08 47.42 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -178.85 -20.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.807 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -94.41 -45.63 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.2 m -54.58 -57.54 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.7 m-80 -58.48 -14.79 8.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -91.66 -31.14 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.614 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.64 -24.64 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 119.31 20.59 3.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.1 m -121.11 164.45 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.522 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -109.55 135.82 49.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CD2' ' C ' ' 2' ' 27' ' ' THR . 33.8 t80 -97.92 117.42 32.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.578 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.25 -83.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.578 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.06 -23.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -65.87 -43.81 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.42 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.2 mt -119.92 106.01 42.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.412 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 -3.32 13.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.7 -5.77 64.44 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.034 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.6 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.42 -176.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.6 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 120.15 5.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.5 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -94.4 30.03 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.594 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 5.8 t -165.92 104.59 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -145.0 -169.86 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' CD ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.77 70.3 27.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.449 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -100.19 42.53 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' OE1' ' CA ' ' 2' ' 36' ' ' CYS . 17.8 mm-40 -52.65 -15.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.647 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.97 -21.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -37.52 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.47 15.0 9.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -91.82 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 108.31 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.647 HG22 ' O ' ' 2' ' 54' ' ' GLU . 9.0 t -50.26 -36.86 33.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.3 mtt180 -92.69 176.13 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.3 t -108.7 20.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 33.83 91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.78 -34.36 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.54 57.07 21.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.48 144.02 30.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -12.49 21.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.431 1.753 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -127.81 44.46 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.591 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -61.31 119.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.527 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.52 154.56 7.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.07 57.39 4.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 ttpt -179.46 -25.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.527 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -97.47 -46.59 6.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.4 m -64.29 -55.53 20.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -63.25 -5.52 3.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 25.5 t30 -106.5 -27.61 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -85.54 -30.17 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.06 23.42 1.29 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 73.7 m -120.96 174.87 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.581 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.8 t -121.4 126.54 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 53.2 t80 -91.47 120.78 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.588 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.01 -82.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.48 -23.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.415 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 11.3 mtm105 -63.21 -44.24 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.491 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -120.26 111.21 35.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.97 -7.87 19.59 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.513 1.796 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.37 -2.87 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.574 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.71 -178.31 0.57 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.21 5.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.496 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.26 27.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 107.966 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.701 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.7 t -169.55 107.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -142.44 -169.5 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.638 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 68.54 35.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.632 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.863 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.49 31.59 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.638 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.7 mm-40 -54.16 -19.19 4.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 2.9 pt-20 -41.52 -25.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.01 -71.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.493 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 10.5 mt-10 -124.11 21.9 8.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.48 -58.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.3 t -71.61 -35.15 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.7 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.579 ' NH1' HG13 ' 2' ' 45' ' ' VAL . 5.6 mtt180 -91.74 175.22 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -107.05 18.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 33.9 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.27 -36.11 19.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.59 61.93 4.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.654 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -92.16 145.18 30.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 110.97 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.07 -8.62 20.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -120.55 10.25 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.709 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -36.96 125.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.606 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.68 155.03 8.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 48.62 2.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 0.9 OUTLIER -179.02 -17.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.606 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.6 mt-10 -99.38 -44.78 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 61.4 m -55.4 -54.89 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 108.226 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.82 -11.03 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.89 -30.3 14.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.648 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.95 -25.72 25.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.19 24.83 2.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.637 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.7 m -120.86 169.12 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.4 t -114.17 129.95 56.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 52.8 t80 -94.97 118.46 31.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.6 t70 -84.94 -81.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 89.03 -18.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 6.9 mtp-105 -55.63 -60.91 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.409 ' HB ' ' HB ' ' 2' ' 45' ' ' VAL . 0.1 OUTLIER -108.59 126.76 28.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.47 21.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.55 -8.41 64.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.911 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.41 169.09 7.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.911 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.42 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -87.18 29.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.709 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.0 t -169.99 103.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.666 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.2 -169.79 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 70.58 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.666 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.08 -93.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.623 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -101.57 37.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.559 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm100 -48.52 -21.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.46 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.362 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.53 -62.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 10.2 mt-10 -143.48 19.27 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.467 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.31 -56.41 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.343 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.436 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.3 t -64.94 -35.39 81.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.589 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.7 mtt180 -89.97 174.99 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.3 t -106.3 19.4 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 32.56 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.53 -35.21 19.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.46 60.94 4.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.628 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.29 143.16 27.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 111.074 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -126.18 16.82 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.601 HG23 ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.28 127.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.662 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.03 156.34 9.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.456 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.09 52.8 3.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 175.53 -20.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.662 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -96.3 -44.19 7.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' 1' ' 26' ' ' VAL . 56.1 m -55.48 -52.97 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -67.99 -2.32 7.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 14.8 t-20 -100.3 -34.76 9.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.628 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.89 -24.93 40.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.26 25.44 2.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 14.6 m -116.42 -177.31 3.15 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -128.49 122.41 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 108.226 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 75.0 t80 -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 25.3 t70 -89.8 -82.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.554 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.09 -17.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -61.9 -42.08 98.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.56 109.25 32.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.53 61.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.604 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.53 -176.38 0.41 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.365 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -74.84 116.39 4.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.451 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -91.09 28.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.045 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.6 t -169.68 108.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.75 -170.75 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.585 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.31 71.52 12.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.638 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.96 -98.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.94 36.07 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 55.0 mm-40 -57.79 -17.59 16.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.511 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.4 pt-20 -50.27 -19.41 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -35.96 -69.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.77 15.12 8.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' 1' ' 58' ' ' THR . 46.3 t -96.89 -89.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.3 t -32.03 -39.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' 1' ' 57' ' ' CYS . 5.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.9 mtt180 -90.26 174.85 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 15.8 t -104.69 21.39 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 29.71 85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.5 -33.43 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.53 59.51 5.3 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.56 1.162 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.87 142.25 27.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.982 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.43 16.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -121.43 9.82 10.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 109.632 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.661 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.0 124.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.772 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.5 158.21 11.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.533 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.94 47.62 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER 178.8 -19.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.772 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -93.47 -45.47 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 68.7 m -54.04 -57.15 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.97 -12.74 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -87.79 -36.06 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.659 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.74 -25.33 32.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.481 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.86 22.6 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.3 m -115.15 170.01 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.8 t -114.59 131.07 56.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 53.0 t80 -93.24 120.37 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.55 -83.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 85.14 -23.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -64.66 -42.34 95.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.67 106.89 39.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.11 -4.07 14.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.76 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -5.74 65.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.602 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.08 -175.96 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.602 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 111.05 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.534 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.54 26.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.08 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.661 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 11.4 t -167.48 106.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 108.261 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.34 -169.8 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 70.63 66.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.0 -92.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.46 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.64 39.22 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.594 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.9 mm100 -50.6 -18.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.1 OUTLIER -42.65 -25.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.093 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.19 -70.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.88 17.69 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 t -93.41 -70.97 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 7.7 t -47.93 -38.35 16.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 45.9 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.561 ' NH1' HG23 ' 1' ' 45' ' ' VAL . 5.5 mtt180 -91.33 177.03 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' 1' ' 20' ' ' ASP . 2.7 t -111.45 18.83 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 35.88 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.64 -35.1 60.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.23 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.31 56.69 23.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.428 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -91.36 142.74 27.32 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -13.29 21.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -123.5 36.41 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.527 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.685 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -54.14 117.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.492 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.8 153.53 5.91 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.567 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 60.01 5.33 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.1 tttt 179.48 -27.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.492 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -97.93 -45.5 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 110.22 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.7 m -64.31 -54.72 28.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -64.84 -5.02 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.8 t30 -107.55 -26.0 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -86.69 -33.19 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.217 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 131.85 22.31 0.94 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 70.8 m -120.94 176.44 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.538 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.8 t -123.98 122.73 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 67.7 t80 -89.06 122.67 32.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.4 t70 -88.97 -84.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.31 -15.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -63.6 -45.99 87.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.524 ' HB ' HG13 ' 1' ' 45' ' ' VAL . 0.8 OUTLIER -120.82 115.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.38 19.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.52 -3.58 66.65 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.561 HG23 ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -119.75 179.16 0.93 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 116.65 4.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.535 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -89.1 28.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.685 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.3 t -172.06 108.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -143.21 -168.73 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 111.048 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.12 69.31 28.79 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.607 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.95 -99.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.481 1.78 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.1 35.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.532 1.145 . . . . 0.0 109.17 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.593 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.2 mm-40 -57.44 -21.71 38.61 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.9 pt-20 -45.38 -22.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.12 -64.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.23 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.47 17.74 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -98.33 -87.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 108.294 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.5 t -38.3 -35.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 46.5 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 40.2 t0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.673 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 16.0 mtt180 -44.19 170.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.0 t -107.03 22.1 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.32 88.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.596 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.4 t -49.03 -35.41 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 108.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.22 54.48 37.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.41 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -89.85 136.17 29.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -1.95 11.91 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 24.26 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.4 1.063 . . . . 0.0 109.587 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.625 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -46.74 124.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -170.81 156.31 4.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 49.0 2.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.2 OUTLIER -176.74 -18.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -99.23 -44.96 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.0 m -61.97 -57.72 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.0 -6.08 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 12.0 t30 -101.47 -29.5 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.503 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -87.25 -29.99 21.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.25 23.09 1.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.6 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.4 m -121.34 167.59 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.638 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -108.1 138.21 44.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.586 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.6 t80 -93.67 123.59 37.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 9.1 t70 -66.05 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 91.24 -9.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . 0.408 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER -91.16 -56.17 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.545 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER -115.21 119.93 37.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.18 20.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -8.58 62.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.801 HG22 ' CD ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -106.3 172.85 3.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.801 ' CD ' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 116.66 4.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.58 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.16 29.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.966 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.596 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 2.6 t -168.32 93.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.238 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.706 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -134.08 -171.07 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -128.2 69.23 77.71 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -91.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.484 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.95 40.73 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.58 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 19.6 mm100 -51.03 -15.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.476 ' HA ' HG22 ' 2' ' 58' ' ' THR . 0.5 OUTLIER -44.67 -22.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.25 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -35.21 -67.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.9 17.62 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.58 -73.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.49 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 9.0 t -48.67 -35.14 13.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.49 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 t0 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 16.6 mtt180 -90.53 176.35 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.8 t -107.16 20.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.516 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 31.79 87.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.506 ' SG ' ' CE ' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -49.47 -35.32 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.49 61.19 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.57 144.01 28.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 111.04 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -7.78 19.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.585 1.834 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 23.5 m-70 -122.72 14.38 10.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.697 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.566 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -38.83 126.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.709 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.32 154.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.475 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 51.51 2.79 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 177.93 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.709 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -95.45 -44.19 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.348 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 38.7 m -55.86 -52.98 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 108.375 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -66.3 -5.01 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.5 t-20 -100.14 -32.6 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.91 -22.96 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 0.0 110.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.45 26.22 2.95 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 23.7 m -118.73 -178.23 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -126.92 121.54 32.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.2 t80 -88.81 119.82 29.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.3 t70 -89.32 -81.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 85.23 -13.82 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -66.75 -40.91 88.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 mt -123.05 109.37 31.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.449 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.61 62.68 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.608 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.71 -176.17 0.4 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.608 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.97 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.449 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -90.48 27.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.521 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 36.3 t -170.42 109.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.83 -171.25 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.659 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.13 14.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.615 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.02 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.69 32.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.659 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.4 mm100 -53.58 -21.11 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER -40.1 -26.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.59 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.72 21.95 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' CD ' ' 2' ' 53' ' ' GLN . 1.8 t -108.45 -52.2 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.501 ' HA ' ' NE2' ' 2' ' 53' ' ' GLN . 0.6 OUTLIER -57.71 -29.76 64.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.0 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.4 t0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -48.06 179.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.215 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' HG12 ' 2' ' 19' ' ' VAL . 23.4 t -113.94 19.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.2 OUTLIER 33.89 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -56.5 -32.91 65.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 108.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.47 56.95 19.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.414 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.59 137.28 28.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.11 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.96 21.83 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.445 1.09 . . . . 0.0 109.671 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.692 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.4 p -41.31 122.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.648 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -168.09 151.24 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 49.96 2.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.648 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -95.8 -43.88 7.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 36.0 m -61.42 -56.54 19.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.321 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.86 -6.41 5.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -101.84 -29.47 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.487 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -85.82 -30.58 22.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.98 22.85 1.51 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.7 m -119.82 174.65 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.554 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -122.3 126.05 47.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 108.268 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.65 ' CE2' HG22 ' 2' ' 26' ' ' VAL . 13.5 t80 -93.03 125.0 37.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.2 t70 -90.04 -80.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.92 -15.61 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.993 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.33 -59.08 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -109.69 125.77 30.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -14.2 21.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.73 -10.01 65.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.14 170.0 6.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.692 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -87.22 28.86 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 107.947 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.525 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.8 t -171.91 99.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.265 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -133.98 -166.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.57 65.91 53.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.736 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.91 -99.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.479 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -96.83 40.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.667 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -42.4 -22.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 10.2 mt-10 -37.21 -29.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.72 -60.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.66 22.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.67 -54.12 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.468 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 0.6 OUTLIER -70.78 -38.18 73.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.468 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.581 ' NH1' HG13 ' 1' ' 45' ' ' VAL . 6.1 mtt180 -92.13 -177.1 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 6.0 t -118.64 22.38 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.87 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.07 -34.52 56.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.252 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.93 54.36 38.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 138.43 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.63 17.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -128.73 34.82 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -55.05 122.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -166.57 152.08 7.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.01 55.08 3.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 6.8 ttpt 179.61 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 1' ' 27' ' ' THR . 2.0 mt-10 -94.78 -45.42 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.8 m -63.83 -57.51 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 108.379 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -60.55 -7.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -105.79 -26.74 11.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.512 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.89 -26.07 22.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.511 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 124.63 20.06 2.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 78.0 m -120.86 167.36 12.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -114.82 125.86 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 56.5 t80 -92.12 120.49 32.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.1 t70 -88.09 -81.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.534 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.42 -17.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -55.09 -60.36 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' 1' ' 43' ' ' PRO . 0.1 OUTLIER -111.18 129.18 24.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -75.11 -14.6 20.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.33 67.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.872 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.78 169.01 7.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 113.36 3.78 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.517 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -85.9 27.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.67 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 31.5 t -171.26 103.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.661 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -169.65 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 68.69 29.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.648 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -75.06 -100.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.423 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -93.46 34.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.567 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 34.9 mm-40 -53.24 -19.12 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.424 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -43.13 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.72 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.63 26.03 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 17.9 t -103.49 -67.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 108.219 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 0.8 OUTLIER -79.99 -25.74 40.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.1 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.573 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 3.4 mtt180 -90.75 -175.14 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.609 1.193 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.3 t -116.63 19.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 34.91 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -51.21 -33.66 28.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.72 53.96 40.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -88.94 141.19 29.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.045 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.0 -8.97 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.75 36.96 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.651 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -55.66 118.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.609 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.39 154.58 9.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 50.98 2.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -173.75 -24.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.609 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -97.37 -44.24 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 7.3 m -65.27 -53.21 47.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 108.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -65.27 -5.4 7.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -105.04 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.83 -32.18 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 128.69 24.66 1.08 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.405 1.065 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.3 m -121.85 166.64 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 2.2 t -114.12 128.49 56.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 108.368 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 44.2 t80 -94.95 116.49 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.57 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.15 -82.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.57 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.26 -23.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.29 -47.23 77.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.474 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 0.4 OUTLIER -115.69 110.82 44.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.55 18.19 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.472 1.775 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.03 -2.28 64.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.573 HG23 ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -119.71 -179.66 0.73 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 117.91 5.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.513 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.4 28.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.582 1.176 . . . . 0.0 108.021 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.651 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 27.1 t -169.87 106.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.86 -170.49 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.29 70.52 43.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -97.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.516 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -105.47 44.85 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 35.1 mm-40 -55.22 -14.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' 2' ' 58' ' ' THR . 65.2 mt-10 -47.61 -20.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.94 -67.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.39 15.01 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.214 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -59.32 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.575 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 7.3 t -61.29 -33.13 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.461 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.9 mtt180 -91.36 172.26 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.1 t -99.37 16.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 33.56 85.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CD1' ' 1' ' 23' ' ' TYR . 3.8 t -47.17 -38.78 12.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.62 58.4 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.629 ' O ' HG12 ' 1' ' 26' ' ' VAL . 1.5 m-85 -91.17 147.64 36.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.92 13.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.23 14.19 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.656 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.0 p -44.69 128.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.639 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.98 153.57 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' 1' ' 27' ' ' THR . 18.1 Cg_endo -75.08 52.29 3.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.23 -21.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.639 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -95.74 -44.16 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 28.3 m -55.45 -53.75 52.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -65.81 -3.78 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 24.4 t-20 -104.02 -29.0 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -84.33 -26.71 28.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.77 26.05 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -120.13 179.44 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.557 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.2 t -126.11 122.11 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 46.1 t80 -88.42 123.6 33.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.5 t70 -91.23 -81.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 86.34 -13.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -65.62 -43.02 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.454 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.1 mt -121.72 112.1 32.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -5.54 16.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.624 1.855 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -5.42 61.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.155 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.556 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -120.21 -177.88 0.52 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -74.98 116.0 4.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.419 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.48 28.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.656 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 45.0 t -171.98 107.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.337 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.34 -168.31 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.666 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.16 68.71 27.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.619 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -101.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.449 1.763 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.866 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -87.38 33.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.666 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 45.3 mm-40 -57.62 -19.27 24.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.3 OUTLIER -44.4 -24.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.83 -64.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.78 25.12 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 5.9 t -104.88 -58.06 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 108.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.8 t -69.15 -34.84 75.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.544 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -90.5 170.61 10.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.183 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.8 t -96.88 18.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 29.94 82.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -46.75 -38.02 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 58.52 13.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.97 140.31 26.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 2.1 t-160 -123.52 9.56 9.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.671 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.0 p -35.0 125.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.584 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.95 155.68 6.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.0 47.5 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.3 tttt -179.06 -14.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.584 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -101.38 -44.21 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.229 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 69.3 m -58.63 -54.24 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.47 -9.79 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -98.05 -28.21 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.99 -25.27 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.82 23.76 3.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 61.8 m -121.61 170.24 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.7 t -113.78 134.69 54.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 40.2 t80 -96.42 117.51 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.97 -82.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.359 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.87 -24.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.21 -43.53 94.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.424 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.7 OUTLIER -120.14 106.32 41.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.405 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.0 Cg_endo -75.06 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.63 -4.7 63.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.582 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -122.16 -175.88 0.39 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.98 120.49 6.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -95.51 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.704 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.8 t -165.8 106.6 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.638 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -146.49 -169.66 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.41 69.95 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.04 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.87 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -97.93 35.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 30.1 mm100 -46.86 -21.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -35.74 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.52 -60.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -141.5 14.31 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.97 -58.05 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.464 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 15.3 t -70.99 -44.31 66.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 20.3 t70 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 8.0 mtt180 -46.96 175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.0 t -107.12 18.34 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.4 t0 33.38 87.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.45 -36.46 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.67 61.23 6.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.18 142.12 25.86 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 0.77 . . . . 0.0 110.997 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -9.45 20.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.3 OUTLIER -121.46 15.87 11.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.547 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.2 p -39.16 127.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.559 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.58 152.75 6.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 54.52 3.69 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.559 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.0 OUTLIER -99.37 -44.49 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.3 m -56.23 -51.52 67.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -68.62 -2.3 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.0 t-20 -105.47 -28.74 10.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.1 -24.3 30.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.88 25.67 2.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.0 m -119.78 -179.31 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.5 t -125.83 126.59 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 45.0 t80 -89.14 121.45 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -84.13 -82.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 84.88 -22.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -62.99 -45.23 93.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.516 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -118.88 110.75 38.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -6.58 18.28 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.91 -2.21 62.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.555 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.57 -177.91 0.53 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 0.81 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.553 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.09 118.52 5.27 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.502 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.77 27.79 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.654 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 16.4 t -168.96 106.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 108.232 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.71 -170.65 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.664 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.36 69.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.644 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -96.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.901 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.62 32.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.664 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 54.4 mm-40 -58.93 -27.18 65.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 8.0 pm0 -42.27 -25.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.84 -62.9 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.13 24.9 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER -103.16 -54.74 2.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.572 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.1 t -89.11 -36.33 15.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 10.7 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.5 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.57 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 5.5 mtt180 -92.03 178.97 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.22 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -110.61 21.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 32.09 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.19 -37.67 16.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.74 57.72 15.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -91.18 140.4 25.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 111.054 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -4.39 15.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 14.17 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.89 126.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.624 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -168.05 155.27 7.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.06 47.64 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -179.83 -17.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.624 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -97.93 -45.15 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.5 m -54.54 -55.25 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.44 -13.5 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.74 -34.76 17.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.21 -26.88 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.247 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.73 25.34 2.61 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.624 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.4 m -117.98 171.63 7.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 2.0 t -115.35 131.52 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 51.3 t80 -94.24 117.38 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -78.88 -83.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.78 -22.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -65.21 -46.6 80.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.509 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.7 OUTLIER -116.58 110.7 42.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.268 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -6.72 18.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.4 -2.31 65.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.415 1.072 . . . . 0.0 110.999 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.57 HG23 ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.37 -179.49 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.04 117.06 4.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.456 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -88.24 27.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.025 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.657 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 8.5 t -168.92 106.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 108.375 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.74 -170.83 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.36 70.74 63.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.614 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -92.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.529 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -102.76 39.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 20.4 mm100 -51.29 -19.89 1.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.448 ' O ' HG22 ' 2' ' 58' ' ' THR . 18.7 mt-10 -40.82 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.22 -72.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 22.29 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 3.1 t -98.69 -72.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.448 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.3 t -54.69 -39.51 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.961 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 15.5 t70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 6.5 mtt180 -49.06 -179.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.57 ' O ' HG12 ' 1' ' 19' ' ' VAL . 47.0 t -113.05 19.37 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 33.42 90.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.51 -33.14 43.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.8 55.96 27.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.501 1.126 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -90.84 140.94 26.38 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.059 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 -6.65 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -132.87 47.12 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.677 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -64.24 122.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.544 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.96 153.73 6.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.449 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 56.53 4.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.9 tttp -179.91 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.544 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.0 OUTLIER -98.24 -45.8 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.1 m -64.3 -54.86 26.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -64.46 -5.17 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.1 t30 -106.71 -26.75 11.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -84.96 -32.26 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.518 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 130.49 23.05 1.02 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.4 m -120.52 179.81 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' HB2' ' CD ' ' 1' ' 51' ' ' PRO . 3.7 t -125.23 129.0 49.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 45.0 t80 -90.25 122.87 33.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.4 t0 -76.56 -89.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.0 t 90.49 -24.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.956 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -43.86 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.433 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER -120.08 104.57 43.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -3.45 13.93 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.97 64.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.63 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.2 m -121.74 -173.85 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.97 123.86 8.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -97.01 28.09 3.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.677 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 33.6 t -166.06 104.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -172.22 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.673 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.01 69.98 39.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.926 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.587 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -96.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.416 1.745 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.95 30.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.673 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.19 -21.75 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.706 ' HG2' HG22 ' 1' ' 58' ' ' THR . 0.2 OUTLIER -39.11 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.53 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.453 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.7 tt0 -127.52 24.49 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.0 t -106.42 -51.58 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.342 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.706 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -90.85 -29.84 17.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.8 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 8.8 mtt180 -90.05 176.42 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.5 t -107.9 22.17 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 30.43 87.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.2 t -49.0 -33.02 10.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.98 60.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.56 134.95 33.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.8 15.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.428 1.751 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -123.92 25.81 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.66 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.9 OUTLIER -47.5 121.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.613 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -166.55 151.84 7.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.0 Cg_endo -75.1 49.28 2.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.585 1.834 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -176.06 -22.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.194 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.613 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -95.75 -45.71 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 10.9 m -61.82 -58.57 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' 2' ' 37' ' ' CYS . 0.8 OUTLIER -59.86 -9.71 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 19.0 t30 -100.91 -27.8 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.504 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.38 -25.21 21.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.496 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 121.73 22.55 2.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.5 m -121.7 163.72 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.588 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -111.22 132.34 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.486 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 39.1 t80 -96.74 118.32 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.552 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -77.2 -83.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.552 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 86.88 -23.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -66.34 -43.1 87.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.412 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.2 mt -121.03 106.29 39.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.406 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -5.53 65.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.588 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.45 -175.81 0.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.588 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.36 6.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.66 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.77 28.38 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.9 t -167.06 103.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.65 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.61 -168.57 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.627 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.22 68.22 36.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.634 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -92.37 33.15 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm-40 -51.84 -22.8 4.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -41.58 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.75 -59.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.448 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 45.6 mt-10 -145.79 21.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -98.61 -54.7 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 8.6 t -71.03 -43.07 68.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.7 mtt180 -88.57 174.29 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.2 t -104.59 21.19 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 29.91 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.43 -33.27 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.367 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.22 60.57 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.552 1.158 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -90.75 146.48 34.14 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 111.03 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.52 21.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -127.08 35.4 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.521 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -57.83 128.34 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.554 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -169.9 155.19 5.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 55.78 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.0 OUTLIER 176.84 -21.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.554 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -98.84 -46.38 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 20.8 m -56.0 -50.78 69.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.76 -1.93 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -102.59 -33.39 9.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.597 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.45 -25.19 39.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.97 24.98 2.38 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 30.7 m -116.9 -179.81 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.9 t -126.44 125.63 42.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 57.2 t80 -87.23 121.41 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -84.15 -84.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.51 -22.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -64.11 -42.24 96.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.5 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.3 mt -121.22 107.36 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -4.52 15.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.99 -6.01 63.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.609 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -120.96 -175.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.609 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.56 30.81 1.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.485 1.115 . . . . 0.0 108.021 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.612 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 22.0 t -171.53 112.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -149.91 -170.98 3.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 111.073 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.618 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.95 72.36 33.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.576 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.09 -97.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.92 32.77 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.618 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.5 mm-40 -53.79 -23.93 13.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.51 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -39.1 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -52.06 -87.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -84.62 11.74 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 14.2 t -105.5 -68.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.51 HG22 ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -47.21 -30.23 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.633 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -92.01 179.41 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.528 ' O ' HG12 ' 2' ' 19' ' ' VAL . 31.4 t -108.52 20.05 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.17 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.638 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 5.1 t -52.58 -35.06 53.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 108.313 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.25 57.94 2.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' SG ' ' 2' ' 21' ' ' CYS . 2.9 m-30 -91.56 148.29 37.06 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.562 0.801 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' HB2' ' NH1' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -123.62 13.38 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.629 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.859 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -43.8 122.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.506 1.129 . . . . 0.0 109.412 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.618 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -165.94 154.15 9.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.396 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.549 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 48.93 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -179.21 -18.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.236 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.618 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.8 OUTLIER -99.35 -44.99 6.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.3 m -55.04 -56.76 16.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -14.0 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.62 -30.88 16.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -84.91 -26.6 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.19 21.42 3.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.142 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 95.5 m -114.06 174.89 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.494 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -121.36 125.71 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.4 t80 -91.06 121.55 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.086 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -84.96 -82.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.918 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.59 -24.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -63.38 -41.97 98.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.81 107.8 35.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.51 65.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.621 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.21 -175.46 0.35 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.621 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.95 118.87 5.43 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.68 27.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 107.983 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.859 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 36.8 t -171.92 103.45 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.732 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.19 -167.84 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -123.65 65.27 33.31 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.732 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.96 -96.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.914 ' O ' HD22 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -105.71 28.74 7.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' 2' ' 54' ' ' GLU . 0.0 OUTLIER -45.38 -18.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 12.0 pt-20 -42.23 -23.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.04 -70.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.72 9.85 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.0 t -88.31 -74.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 108.34 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.491 ' H ' ' HA ' ' 2' ' 54' ' ' GLU . 2.6 t -41.73 -36.82 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.6 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.4 mtt180 -92.23 -177.08 4.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -114.89 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.43 89.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.26 -33.47 19.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.26 55.78 27.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.4 1.062 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.427 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.51 142.07 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.04 -8.91 20.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -131.68 49.86 2.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.4 p -66.09 121.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.526 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.73 154.02 6.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 57.14 4.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.394 1.734 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.2 tttp -179.16 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.526 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -98.02 -46.23 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.14 -54.83 27.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.1 m-80 -64.21 -5.58 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.0 t30 -106.54 -27.09 11.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.498 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.02 -30.5 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.5 22.91 1.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.7 m -120.12 177.15 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.92 128.36 50.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.6 t80 -89.71 120.98 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.3 t0 -75.69 -89.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.3 t 89.61 -22.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -71.24 -45.04 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.407 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER -119.68 106.95 41.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.92 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.76 -3.2 64.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.605 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.18 -175.56 0.36 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 122.33 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -94.03 28.43 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.957 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.654 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 31.8 t -167.72 103.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.32 -171.45 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.91 39.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.594 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.03 -99.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.498 1.789 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.18 34.25 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 40.8 mm-40 -53.22 -21.94 5.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -27.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.68 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.31 25.29 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.6 -71.91 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 10.0 t -59.05 -38.45 79.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' 1' ' 58' ' ' THR . 19.5 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 30.0 t70 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.655 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -45.28 171.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.6 t -105.29 20.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 30.49 86.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -49.36 -36.04 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 108.366 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.26 60.09 9.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.639 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.74 139.01 24.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.54 14.04 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.605 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.552 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.71 127.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.607 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -167.07 153.81 8.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.458 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.569 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.96 46.98 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -178.95 -15.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.607 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -100.15 -45.21 5.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 62.1 m -55.51 -55.39 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.21 -12.57 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.639 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.37 -26.23 23.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.86 23.07 3.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.9 m -120.27 173.42 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.9 t -114.63 133.58 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 46.5 t80 -89.12 124.01 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -69.08 -97.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.9 t 94.27 -12.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . 0.419 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 10.7 mtp180 -90.07 -57.55 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.513 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 1.4 mt -107.1 116.37 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.64 21.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -6.24 67.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.941 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.85 171.07 4.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.941 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.432 1.754 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.535 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.19 30.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.63 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 4.8 t -165.9 96.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.44 -172.91 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.508 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.34 69.31 31.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -95.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.401 1.738 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.431 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -100.87 39.93 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 25.1 mm100 -49.68 -18.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' 2' ' 58' ' ' THR . 3.0 mt-10 -41.77 -25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.88 -68.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.7 mt-10 -137.93 21.85 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -99.92 -52.76 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 108.217 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.575 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 6.5 t -70.75 -31.08 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' NH1' ' CZ ' ' 1' ' 49' ' ' PHE . 3.1 mtt180 -91.4 176.44 6.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.511 ' O ' HG12 ' 1' ' 19' ' ' VAL . 24.3 t -113.69 23.05 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.41 89.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.03 -33.55 18.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.53 57.3 19.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.413 ' O ' HG12 ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -90.34 138.15 27.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -5.45 16.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -123.73 18.36 9.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.621 HG21 ' HE3' ' 1' ' 47' ' ' TRP . 1.2 p -39.99 124.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.721 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.66 153.41 8.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 53.97 3.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.721 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -93.63 -42.65 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 61.0 m -61.18 -56.58 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -65.53 -3.46 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 19.0 t30 -105.46 -28.04 11.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.53 -29.99 23.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.425 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . . . 127.81 22.67 1.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.8 m -118.95 178.27 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -121.01 129.75 53.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 38.4 t80 -81.78 128.92 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.569 ' CB ' ' HA ' ' 1' ' 47' ' ' TRP . 8.0 t70 -63.52 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.0 OUTLIER 89.92 -7.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 3.4 mtp180 -91.14 -60.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.529 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.8 OUTLIER -120.21 130.8 24.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -11.57 21.59 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.89 65.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.859 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -102.35 169.95 6.96 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.387 0.698 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.859 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 115.87 4.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.621 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -85.62 30.3 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.1 t -171.14 96.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.45 -174.41 3.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 111.05 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.17 70.39 42.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.06 -100.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.531 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.4 OUTLIER -93.54 33.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.556 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.6 mm-40 -51.95 -21.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.492 ' O ' HG22 ' 1' ' 58' ' ' THR . 1.0 OUTLIER -41.17 -26.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.43 -72.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -127.29 25.17 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.425 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.4 t -102.61 -61.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.492 HG22 ' O ' ' 1' ' 54' ' ' GLU . 13.5 t -68.84 -35.55 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.965 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.58 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 8.8 mtt180 -91.09 178.48 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -108.54 18.19 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.365 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 85.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -49.28 -36.75 21.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 108.297 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.89 60.16 8.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -92.13 139.7 24.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.004 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.551 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 1.4 t60 -125.54 13.38 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -38.78 127.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.601 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.29 155.02 6.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.497 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 47.91 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 0.9 OUTLIER -178.72 -16.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.601 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -100.55 -45.95 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.5 m -55.65 -55.73 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 108.241 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.42 -12.33 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -94.78 -29.26 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.238 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.74 -24.62 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.3 22.58 3.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.396 1.06 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.62 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.2 m -120.86 167.59 12.36 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.507 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -111.49 134.82 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 47.6 t80 -97.9 116.07 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.545 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.2 OUTLIER -75.63 -84.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.545 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 88.01 -25.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -66.18 -43.2 87.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.428 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER -120.5 105.48 41.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -3.03 13.32 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.28 -6.67 68.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.558 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.73 -176.88 0.44 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.02 119.63 5.72 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.459 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.62 28.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.974 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.639 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 7.4 t -165.62 101.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -142.26 -169.89 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 111.061 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 69.84 31.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.611 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.03 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.407 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -99.71 38.99 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.546 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.0 mm100 -52.04 -17.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.2 pt-20 -43.91 -21.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.27 -66.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' OE1' ' HB1' ' 2' ' 55' ' ' ALA . 14.8 mp0 -139.04 12.69 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -58.24 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . . . . . . . . . 4.5 t -61.44 -34.03 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.585 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 1.5 mtt180 -91.48 -178.81 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.0 t -112.89 21.28 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.82 89.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.38 -33.33 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.65 56.06 26.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.546 1.153 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -91.21 140.98 25.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 0.73 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.04 -7.08 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 54.5 1.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.377 1.048 . . . . 0.0 109.629 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -70.69 124.4 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.536 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -170.2 154.7 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.382 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.577 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.27 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 16.8 tttt 179.42 -24.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.536 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.4 mp0 -97.66 -47.36 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.2 m -65.36 -54.15 33.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.481 HD21 ' H ' ' 1' ' 38' ' ' PHE . 27.8 m120 -63.47 -6.97 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -106.58 -26.84 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -83.64 -29.41 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 126.2 22.99 1.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 67.2 m -120.08 179.05 4.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -123.66 125.25 44.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.5 t80 -83.52 126.65 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 8.5 t70 -70.43 -98.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.2 t 94.19 -13.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -52.83 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -115.08 109.12 47.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.96 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.23 -1.61 59.35 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.585 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -119.88 -176.51 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.89 121.68 6.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.581 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -95.32 28.24 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.619 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 24.8 t -167.91 100.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 108.321 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.71 -171.63 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.75 69.31 35.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.638 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -74.98 -98.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.5 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.4 OUTLIER -93.13 33.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.3 mm-40 -53.89 -18.46 3.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.454 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -43.38 -25.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.56 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.7 t -105.52 -51.19 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.5 t -78.99 -43.4 24.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' 1' ' 58' ' ' THR . 65.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . 0.464 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 10.8 t70 . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.0 mtt180 -44.53 172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.4 t -110.23 22.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 32.1 89.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.605 ' N ' ' HZ1' ' 2' ' 50' ' ' LYS . 1.9 t -51.28 -31.97 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.16 51.18 57.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.427 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -87.56 133.6 37.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.31 22.41 7.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.594 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.626 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -45.0 124.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.608 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -167.05 152.39 7.24 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 48.87 2.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.09 -20.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.608 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -96.97 -43.94 7.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.7 m -61.01 -58.01 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 108.353 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.6 m-80 -63.82 -5.17 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 18.9 t30 -103.66 -27.32 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.533 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.78 -26.16 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 123.2 21.45 2.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.9 m -118.76 168.59 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 5.3 t -111.94 133.91 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.2 t80 -88.34 126.26 35.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -67.72 -98.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 89.63 -7.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . 0.441 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.1 OUTLIER -91.05 -56.13 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.54 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER -120.42 127.07 26.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.65 21.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.95 -8.18 67.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -103.47 170.29 6.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.443 1.76 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.616 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.66 29.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.035 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.5 t -171.01 93.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -132.99 -171.81 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.605 ' HZ1' ' N ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -126.23 69.64 67.93 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -97.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.584 1.833 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.423 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -96.49 33.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -46.37 -22.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.83 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.41 -66.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.44 15.86 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.545 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -96.46 -86.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 -179.924 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.8 OUTLIER -37.32 -32.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 6.9 mtt180 -91.44 176.26 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.5 t -105.71 20.73 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.75 86.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.02 -35.66 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.92 62.93 2.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.629 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.69 149.87 39.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.95 21.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.06 18.77 10.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.7 p -44.99 121.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.541 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -163.1 154.89 15.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 110.441 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.85 55.59 3.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.56 -21.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.541 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -99.65 -43.59 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.604 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.4 m -56.42 -52.32 65.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -68.55 -2.27 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 20.6 t30 -104.92 -29.04 10.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.629 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.35 -24.69 29.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.486 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.64 24.36 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.0 m -117.83 179.63 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.21 126.13 44.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 45.5 t80 -88.94 121.32 31.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.533 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.81 -84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.533 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.83 -23.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 0.6 OUTLIER -64.96 -43.86 91.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.938 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.64 106.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.43 -6.4 66.22 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.575 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -121.64 -175.42 0.35 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 0.71 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.507 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.32 28.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.728 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 19.6 t -169.48 108.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.63 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.55 -170.38 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.923 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.658 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.07 69.77 29.31 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -99.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -89.89 32.55 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm100 -54.38 -20.85 8.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 3.6 pt-20 -41.53 -26.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.2 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.32 25.33 7.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 5.0 t -105.99 -55.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.9 OUTLIER -90.27 -31.03 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.916 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.537 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 12.4 mtt180 -87.41 173.82 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.578 ' O ' HG12 ' 2' ' 19' ' ' VAL . 51.2 t -103.41 19.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 30.56 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.47 -34.49 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.54 59.35 6.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -91.21 144.15 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.086 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.7 Cg_endo -74.89 -3.89 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.408 1.741 . . . . 0.0 111.048 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.4 OUTLIER -124.07 11.37 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.532 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.75 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -38.93 121.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.625 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.09 158.96 10.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.05 48.96 2.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.21 -16.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.625 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.9 OUTLIER -98.67 -45.74 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 93.2 m -54.82 -56.43 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -61.88 -11.33 12.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.14 -35.83 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.7 -25.58 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.2 26.64 2.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 49.1 m -119.62 169.6 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.5 t -113.57 133.15 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 54.1 t80 -95.61 116.62 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.44 -84.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.29 -23.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -65.68 -41.54 92.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.503 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.3 mt -120.72 106.88 39.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.1 -6.0 65.36 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.589 ' HB ' ' CD ' ' 2' ' 46' ' ' PRO . 1.1 m -120.65 -176.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.589 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 120.11 5.92 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.491 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.9 28.12 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.75 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t -167.45 110.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 108.336 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.604 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -150.15 -171.06 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.44 72.32 38.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.596 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -96.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.48 39.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.496 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 31.6 mm-40 -51.94 -19.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.99 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.17 -65.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -143.81 20.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -100.12 -55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.532 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 4.5 t -66.39 -44.03 84.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 34.4 t0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.598 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.5 mtt180 -89.85 172.21 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.1 t -101.68 18.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.85 87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.221 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -49.59 -37.11 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.273 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.38 63.11 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.47 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 110.974 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.06 19.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.9 OUTLIER -124.23 16.59 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.633 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.546 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -39.05 127.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.706 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.35 153.75 7.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.377 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -179.91 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.706 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -95.91 -44.79 7.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 31.2 m -56.31 -51.1 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.303 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.91 -1.24 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 48.6 t30 -106.32 -29.44 9.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.607 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.1 -24.36 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.485 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.16 26.35 2.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 13.7 m -119.95 -177.99 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.1 t -128.31 125.11 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 108.333 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.5 t80 -88.95 119.49 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.4 t70 -89.28 -82.62 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 86.69 -16.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.975 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.52 -42.76 99.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.9 110.05 33.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.09 -6.33 63.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.577 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.71 -176.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.577 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.12 117.39 4.87 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.429 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -91.88 27.65 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.963 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 42.1 t -169.01 109.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.626 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.96 -170.82 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.643 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -118.6 71.58 9.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.626 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.0 -97.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.651 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.6 OUTLIER -92.65 33.04 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.643 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.02 -25.4 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -36.39 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.91 -64.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.29 14.03 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' 1' ' 53' ' ' GLN . 0.5 OUTLIER -94.0 -88.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.357 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 2.9 t -41.02 -43.83 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' 1' ' 58' ' ' THR . 31.2 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.568 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 6.4 mtt180 -91.06 176.78 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 24.5 t -106.55 20.92 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 30.25 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.61 -35.99 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.92 59.21 8.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.55 140.79 25.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.06 -4.83 15.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -123.63 12.99 9.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.619 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.56 125.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.801 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.03 155.55 12.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 47.2 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.439 1.757 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 2.8 tttt -179.49 -20.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.801 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -94.13 -45.22 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.225 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.0 m -54.67 -56.32 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.13 -14.17 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -90.21 -32.5 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.45 -25.1 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.462 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.76 23.88 3.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.9 m -118.92 173.92 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.53 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.9 t -117.62 130.94 56.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.2 t80 -94.55 119.88 33.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.574 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.89 -83.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.574 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.33 -24.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -64.12 -43.89 93.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -120.45 106.59 40.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -2.91 13.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.17 -7.21 65.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.566 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.34 -176.35 0.41 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 118.89 5.43 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.506 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.29 28.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.67 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 11.5 t -167.45 105.22 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.45 -169.61 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.89 69.81 37.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -75.0 -99.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.3 OUTLIER -92.64 34.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 27.2 mm100 -50.55 -19.37 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -39.61 -26.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.43 -60.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.482 ' OE2' HG11 ' 1' ' 19' ' ' VAL . 3.7 tt0 -142.93 17.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.3 OUTLIER -95.99 -51.42 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 4.7 t -67.76 -45.53 74.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.192 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' 1' ' 18' ' ' ARG . 37.0 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.632 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -48.21 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -111.19 21.84 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.41 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.637 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.4 t -46.53 -36.23 6.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.58 60.6 8.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.81 138.72 24.79 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.45 0.735 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.01 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -122.82 15.55 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.584 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -38.67 129.41 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.552 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -168.78 152.15 5.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.427 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 53.59 3.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 tptt 176.7 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.552 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -99.99 -45.05 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.6 m -56.06 -52.8 62.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.484 1.115 . . . . 0.0 108.316 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -67.26 -4.31 10.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 33.3 t-20 -105.17 -25.47 12.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.631 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.1 23.61 2.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 58.4 m -120.55 -175.98 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.2 t -126.5 128.09 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 41.0 t80 -82.01 128.87 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 7.7 t70 -71.28 -98.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.2 t 91.89 -9.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.157 . . . . 0.0 110.057 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.43 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 5.3 mtp180 -90.32 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.513 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.8 OUTLIER -116.84 122.09 31.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -11.96 21.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.36 65.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -104.65 170.32 6.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.567 ' HA ' ' CB ' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.74 29.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.637 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.3 t -166.57 94.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.04 -176.74 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.609 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.46 71.36 13.18 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -75.01 -97.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.609 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.8 mm100 -52.13 -21.77 3.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.2 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.234 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.96 -67.93 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -133.38 24.21 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 2.5 t -105.78 -49.25 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.532 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.9 t -82.34 -45.66 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' 1' ' 58' ' ' THR . 60.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.8 mtt180 -91.05 172.03 8.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.2 t -98.38 17.2 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.5 t0 32.26 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 0.5 OUTLIER -49.39 -36.03 20.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 179.926 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.34 59.62 0.79 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.792 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.8 m-85 -90.6 158.85 42.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.596 0.821 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -11.18 21.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.447 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 0.1 OUTLIER -116.58 5.99 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.551 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.3 p -39.69 112.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.54 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.39 164.23 10.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.8 2.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -19.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.54 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -98.17 -44.75 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 95.6 m -54.42 -56.7 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.27 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -9.52 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.26 -37.44 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.471 ' HD3' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.75 -28.54 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.511 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 120.41 27.41 1.99 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 67.6 m -112.51 173.07 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.6 t -117.6 125.02 50.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 78.7 t80 -92.79 119.17 31.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.9 t70 -87.4 -83.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 88.22 -15.74 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -64.77 -40.77 95.81 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' 2' ' 45' ' ' VAL . 0.8 OUTLIER -122.07 109.62 33.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -5.38 16.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.3 -6.81 62.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.64 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.4 m -120.96 -177.96 0.54 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.64 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.426 ' NE1' ' HA ' ' 2' ' 43' ' ' PRO . 0.0 OUTLIER -90.46 29.4 1.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.88 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 25.3 t -170.21 111.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -149.91 -168.01 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.79 70.6 48.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.643 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.88 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.455 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -94.7 36.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.2 mm100 -51.77 -19.56 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 11.9 pt-20 -41.44 -23.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.51 -60.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.38 17.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -95.94 -51.46 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.9 t -70.86 -33.46 70.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 49.9 t0 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 5.4 mtt180 -92.08 173.12 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.3 20.79 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.45 86.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.558 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -46.94 -34.08 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.354 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.6 60.87 5.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.646 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.34 143.44 27.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -7.74 19.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.24 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.586 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.6 p -40.03 125.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.545 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.08 155.47 7.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 54.02 3.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.512 1.796 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 109.345 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.545 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -99.15 -44.62 6.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.2 m -55.51 -52.45 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.397 1.061 . . . . 0.0 108.246 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.43 -2.38 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -101.68 -32.54 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.646 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.04 -23.97 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.41 25.22 2.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -116.62 178.99 4.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -124.15 125.65 44.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 57.9 t80 -90.11 121.84 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.5 t70 -89.88 -82.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.9 OUTLIER 89.87 -20.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.409 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 7.1 mtp180 -51.68 -55.91 16.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.65 126.57 27.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.29 21.44 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.66 -8.14 62.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.82 169.4 6.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 0.746 . . . . 0.0 109.313 -179.929 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.08 110.35 3.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.439 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.89 30.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.586 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 12.2 t -168.56 102.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 108.334 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -144.83 -172.06 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 111.048 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.35 71.97 26.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.65 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -98.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.436 1.756 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.563 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.6 OUTLIER -93.74 32.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.6 mm-40 -51.4 -19.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.212 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.09 -27.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.56 -74.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.21 24.14 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.2 t -105.54 -53.07 2.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.235 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.447 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -82.8 -33.41 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.472 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 50.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.679 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.4 mtt180 -89.13 -179.99 6.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.5 t -112.09 19.84 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.41 90.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.92 -33.33 56.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.44 50.85 58.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -84.09 138.26 39.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -7.12 18.84 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -121.41 19.27 11.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.639 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.674 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.4 p -38.41 118.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.592 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -166.75 151.63 7.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.11 50.12 2.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.579 1.831 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.6 tttt -174.83 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.592 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -96.65 -43.21 7.66 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.7 m -61.96 -56.1 22.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.6 -5.28 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 17.6 t30 -102.97 -29.41 11.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.472 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.49 -32.63 19.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.541 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 130.69 22.4 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.6 m -123.1 161.67 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.669 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 34.3 t80 -89.38 120.58 30.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -80.02 -84.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.15 -22.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -67.39 -41.04 85.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.419 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 1.3 mt -120.76 106.72 39.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -4.89 16.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.85 65.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.599 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.7 -175.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.674 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.42 26.47 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.644 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 17.2 t -169.84 101.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.67 -168.51 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 67.54 60.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.692 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.94 -97.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.794 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -95.23 36.35 1.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.594 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -44.58 -23.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.571 ' HG3' HD12 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -36.5 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.09 -64.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.63 13.62 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.51 -56.63 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.475 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 13.7 t -69.99 -41.14 74.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.442 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.475 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.594 1.184 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.82 170.63 9.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.196 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.623 ' O ' HG12 ' 1' ' 19' ' ' VAL . 89.3 t -99.6 18.48 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 31.8 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.55 -34.12 48.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.254 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.18 60.22 2.0 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.658 ' CE2' ' HD3' ' 1' ' 34' ' ' ARG . 1.2 m-85 -91.92 156.55 42.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.791 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 1.3 m170 -109.81 9.78 24.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.618 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.834 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -38.2 114.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.631 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -166.76 155.33 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.608 ' HB3' ' CD1' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 55.19 3.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.75 -24.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.631 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.7 OUTLIER -97.05 -40.6 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.6 m -61.39 -54.45 43.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.355 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m-80 -70.52 4.15 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 26.2 t30 -107.35 -32.04 7.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.658 ' HD3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -88.66 -33.15 17.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 133.89 24.17 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.472 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . 60.8 m -116.6 166.81 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.527 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 1.9 t -116.3 123.38 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' HB3' ' 1' ' 28' ' ' PRO . 36.1 t80 -93.22 121.27 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.6 t70 -86.55 -82.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 87.94 -16.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -63.28 -42.84 99.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -121.78 111.82 32.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -4.42 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.624 1.855 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.47 -6.3 61.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.649 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.4 m -120.04 -178.05 0.53 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.649 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 115.99 4.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.14 28.5 1.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 108.016 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.834 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 38.8 t -171.44 110.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.0 -169.07 3.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.15 70.51 21.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.633 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -101.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.543 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -91.94 35.49 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm-40 -55.0 -26.43 36.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.282 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -38.9 -29.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.93 -62.01 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.27 15.7 7.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -91.34 -81.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.503 ' CB ' ' HG3' ' 2' ' 54' ' ' GLU . 1.1 t -53.85 -34.22 58.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 44.4 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 16.8 mtt180 -91.09 169.4 10.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.5 t -95.31 15.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.389 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.63 80.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.698 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 5.6 t -44.31 -39.58 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.15 61.4 2.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.704 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -91.55 153.28 44.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -5.62 17.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -124.54 8.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.549 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.844 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -38.17 116.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.98 162.57 9.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.43 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.476 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.04 49.47 2.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.1 OUTLIER -179.28 -18.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.148 . . . . 0.0 109.362 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -99.13 -44.83 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.9 m -56.36 -57.48 12.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 108.278 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.32 -13.14 11.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.221 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.5 t30 -89.62 -34.17 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.436 ' HA ' ' OH ' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.25 -25.87 29.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 116.86 25.02 3.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.6 m -115.43 170.07 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.3 t -114.58 128.33 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.323 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 73.0 t80 -94.62 117.36 30.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.9 t70 -84.47 -82.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 2.1 t 88.03 -15.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -42.67 96.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.96 110.98 32.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -5.84 17.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.572 1.827 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.42 -5.96 64.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.567 1.167 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.639 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.5 m -121.34 -178.54 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.639 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.9 117.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.58 1.832 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -92.65 29.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 107.949 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.844 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 22.1 t -169.99 106.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 108.333 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -147.54 -168.56 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -119.7 70.13 13.11 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.688 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.04 -96.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.431 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.47 41.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.547 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 19.5 mm100 -49.14 -18.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.36 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.903 ' O ' HG22 ' 2' ' 58' ' ' THR . 8.4 mt-10 -43.34 -23.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -39.61 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -113.9 13.78 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -91.57 -68.99 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.903 HG22 ' O ' ' 2' ' 54' ' ' GLU . 15.0 t -53.08 -31.25 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -50.38 174.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.84 18.3 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.9 OUTLIER 34.73 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.47 -32.63 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.89 59.2 4.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.673 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -90.87 143.52 28.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 18.6 Cg_endo -74.94 -8.99 20.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -120.3 15.39 12.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.622 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -41.53 126.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.542 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.94 153.73 8.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 53.13 3.26 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.46 -17.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.542 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -101.11 -44.98 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.578 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 48.3 m -55.68 -51.26 67.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -69.15 -2.14 9.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.6 t30 -105.02 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.673 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.41 -24.28 29.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.26 24.87 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -119.12 -179.61 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -125.69 125.49 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 59.0 t80 -92.41 120.22 32.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.7 t70 -89.31 -81.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.02 -17.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.658 1.224 . . . . 0.0 109.962 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.54 -45.29 94.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -119.04 118.81 32.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.22 21.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.69 -10.15 63.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.817 HG22 ' CD ' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -109.16 173.0 3.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.517 0.775 . . . . 0.0 109.244 -179.923 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.817 ' CD ' HG22 ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -88.51 29.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 108.024 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.63 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 19.3 t -169.35 106.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.46 -170.54 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.64 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 71.69 23.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.05 -96.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.09 32.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.64 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.0 mm100 -51.77 -20.57 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.551 ' HG2' HG22 ' 1' ' 58' ' ' THR . 2.2 tm-20 -39.02 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.17 -65.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.03 25.83 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -63.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.322 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.551 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -66.92 -42.26 85.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.462 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 11.4 t70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.667 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 14.7 mtt180 -47.9 178.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.516 ' O ' HG12 ' 2' ' 19' ' ' VAL . 23.4 t -115.29 21.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.15 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.555 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 56.53 23.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.55 141.25 27.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.39 21.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.532 1.806 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.45 31.43 5.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.699 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.1 p -51.43 120.01 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.593 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -168.72 154.97 6.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 50.8 2.63 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -174.26 -22.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.593 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -99.04 -45.6 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 12.6 m -62.95 -54.31 40.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.96 -4.65 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 16.9 t30 -104.3 -29.4 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.461 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.14 -34.01 19.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 130.52 26.48 0.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.5 m -120.8 170.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 2.2 t -117.74 127.31 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.362 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.6 t80 -98.55 117.33 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.3 t70 -84.66 -80.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 87.97 -18.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -58.27 -50.73 72.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -116.66 124.39 29.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -14.76 21.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.0 67.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.894 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.21 169.96 6.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.894 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.05 115.81 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.547 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.01 28.51 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 108.036 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.699 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 19.3 t -171.03 102.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.355 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.682 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.84 -172.98 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.945 -179.908 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -120.87 68.48 16.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.98 -109.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.761 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.96 ' O ' HD22 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.13 38.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 39.6 mm-40 -50.6 -20.88 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -40.85 -23.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.61 -66.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -140.24 15.57 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.43 -56.94 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.498 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.4 t -66.37 -42.28 88.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.9 mtt180 -49.04 175.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.651 ' O ' HG12 ' 1' ' 19' ' ' VAL . 84.2 t -108.06 17.89 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 34.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.06 -36.58 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.275 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.01 61.65 5.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.622 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.46 141.28 24.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.933 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.75 14.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 17.91 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.576 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -41.75 128.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.693 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.88 153.68 8.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 52.4 3.04 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.92 -20.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.693 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -96.6 -44.08 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.341 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.9 m -56.47 -51.3 68.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 0.0 108.252 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -68.75 -2.77 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.7 t-20 -104.53 -28.62 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.11 -24.84 30.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.4 25.12 2.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 28.2 m -120.49 -179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -125.57 125.27 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 108.282 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.7 t80 -91.38 121.36 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 18.7 t70 -90.32 -82.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -17.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.65 119.0 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.421 1.748 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.62 -9.84 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.806 HG22 ' CD ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER -109.59 172.93 3.23 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.806 ' CD ' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.453 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -88.88 30.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 107.977 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.2 t -169.85 103.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -144.73 -170.95 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.94 70.38 14.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.78 32.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.639 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.4 mm-40 -54.74 -20.78 9.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.8 -26.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.16 -70.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -128.36 23.93 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.5 t -104.23 -55.28 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.424 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.1 t -86.54 -37.62 18.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 52.9 t0 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.684 ' NH1' ' CZ ' ' 2' ' 49' ' ' PHE . 6.2 mtt180 -91.09 177.89 6.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 17.5 t -112.97 24.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.092 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.91 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.8 t -48.77 -34.86 13.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 57.02 21.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -90.13 138.1 27.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.09 -4.87 16.02 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.493 1.786 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 19.95 9.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.66 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.7 p -41.79 122.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.6 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.08 154.8 6.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 48.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttp -176.22 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.6 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mp0 -99.92 -43.99 6.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 80.6 m -61.75 -57.17 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.336 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.56 -3.32 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -103.63 -29.68 10.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.478 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.86 -31.99 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 129.01 24.56 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.1 m -120.6 169.47 10.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -111.87 133.69 53.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.271 -179.925 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.5 t80 -88.62 124.24 33.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -61.52 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 2.0 t 90.46 -8.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . 0.411 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 3.5 mtp180 -91.41 -58.09 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.54 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER -119.63 125.99 27.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.22 19.96 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.07 -7.71 60.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -103.76 172.51 4.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.804 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.66 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.96 31.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 108.045 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.2 t -173.72 96.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.203 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.702 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -135.85 -175.97 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -122.75 69.5 35.51 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.697 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.95 -100.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.887 HD13 ' C ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -99.6 36.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 37.4 mm-40 -47.26 -22.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.2 OUTLIER -35.8 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.49 -61.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 15.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.485 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -89.93 -58.52 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.431 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 6.8 t -71.16 -36.51 72.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 4.8 mtt180 -92.18 175.06 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -107.99 20.72 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.78 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -53.24 -34.5 57.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.382 1.051 . . . . 0.0 108.291 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.69 54.62 35.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.22 139.37 27.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.949 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.93 -6.85 18.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -128.6 37.83 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -56.15 120.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.435 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.1 152.97 6.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.05 58.58 4.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.4 ttmt 178.92 -25.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.5 mt-10 -98.62 -45.62 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -63.4 -54.86 30.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -64.9 -5.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -106.11 -27.26 11.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.62 -30.18 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.99 23.33 1.31 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.3 m -120.28 177.25 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.546 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -123.36 127.81 49.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.203 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 47.1 t80 -91.58 120.52 32.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.585 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -81.95 -83.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 85.03 -23.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.932 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -64.58 -43.42 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.507 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.01 109.85 35.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.082 . . . . 0.0 109.251 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.53 -3.45 62.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.602 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -120.47 -176.99 0.43 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.602 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.24 5.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.562 1.822 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.541 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.12 25.97 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.665 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 37.1 t -168.62 104.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.266 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.6 -171.16 3.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.614 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.19 69.33 29.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.04 -104.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.442 1.759 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -86.48 31.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.614 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 35.1 mm-40 -51.73 -18.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.457 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.57 -25.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.91 -67.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -131.24 23.65 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.0 t -103.82 -53.51 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.457 HG22 ' O ' ' 1' ' 54' ' ' GLU . 3.0 t -68.35 -42.7 78.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 2.9 mtt180 -92.15 176.37 6.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.575 ' O ' HG12 ' 2' ' 19' ' ' VAL . 47.2 t -108.36 18.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 34.02 89.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.88 -33.36 61.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.18 56.92 18.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.45 141.6 27.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 111.016 179.923 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.06 -8.08 19.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.58 32.11 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.746 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.3 p -51.91 117.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.31 155.6 8.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.8 2.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 3.3 ttpt -174.38 -23.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -98.1 -45.98 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.325 179.927 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.8 m -63.31 -56.84 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 108.31 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.68 -6.71 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.8 t30 -103.72 -27.75 12.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.2 -25.88 21.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.501 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.67 22.56 2.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.0 m -120.3 166.57 13.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.486 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 2.8 t -114.64 126.29 54.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 52.3 t80 -92.31 119.97 32.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.8 t70 -85.3 -82.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 85.33 -13.04 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -44.31 80.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -122.51 111.28 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.433 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -4.29 15.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.458 1.767 . . . . 0.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.6 -6.39 64.11 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.617 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -122.13 -176.46 0.42 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.617 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.507 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -93.21 28.13 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.746 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 48.9 t -169.2 110.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.629 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -147.22 -167.71 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.3 70.16 42.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.629 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.97 -94.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.404 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -98.91 38.17 1.42 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -50.78 -19.52 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.577 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.8 OUTLIER -41.35 -24.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -27.96 -72.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -135.02 10.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.1 -59.04 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.5 t -48.77 -40.98 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 51' ' ' PRO . 5.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t70 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.608 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.9 mtt180 -92.11 -178.36 4.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -112.82 21.82 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.33 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -50.19 -33.51 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.247 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.74 54.01 37.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.578 1.174 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -88.88 137.88 29.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -4.96 16.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -129.4 37.89 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.641 HG21 ' HE3' ' 1' ' 47' ' ' TRP . 1.4 p -56.94 123.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.55 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -167.49 150.95 5.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 55.19 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.827 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 10.9 tttt 179.54 -23.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.55 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -97.36 -45.35 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.4 m -63.12 -56.38 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.238 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -63.29 -6.26 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.4 t30 -106.34 -24.99 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.544 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.0 -27.82 21.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 125.75 23.18 1.7 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 83.5 m -120.39 178.16 4.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 12.0 t -123.85 127.67 48.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 40.7 t80 -87.93 124.44 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' 1' ' 47' ' ' TRP . 36.6 t0 -79.24 -88.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.3 t 87.61 -24.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.405 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 18.4 mtp180 -71.77 -44.42 64.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.204 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.424 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -120.2 105.92 41.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.55 15.57 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.72 64.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.608 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.2 -175.72 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 121.34 6.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.641 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -93.98 28.09 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 23.7 t -166.49 101.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.15 -170.14 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 67.14 39.67 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -94.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.916 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.0 OUTLIER -88.68 26.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.639 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 71.9 mm-40 -57.41 -26.28 60.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.5 pp20? -40.29 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' 1' ' 59' ' ' PHE . . . -46.64 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -97.92 20.17 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 6.2 t -106.9 -62.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.494 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -92.45 -4.65 53.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.801 ' O ' HG21 ' 2' ' 19' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 20.4 mtt180 -91.31 179.77 5.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.801 HG21 ' O ' ' 1' ' 59' ' ' PHE . 25.5 t -108.11 16.79 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.505 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.81 84.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.651 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 3.2 t -49.15 -36.63 19.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.31 61.0 3.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.653 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -91.2 148.67 38.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.4 Cg_endo -74.89 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.3 m-70 -126.47 12.25 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.833 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -39.13 115.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.517 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -164.42 160.11 15.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.03 48.46 2.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.424 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 15.7 tttt -177.74 -16.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.517 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -101.11 -44.24 5.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.23 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 83.1 m -57.87 -56.33 23.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 108.209 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.31 -12.56 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.469 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 36.0 t-20 -93.72 -29.61 15.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.458 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.06 -26.08 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.483 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.66 26.81 2.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.6 m -122.57 166.1 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -112.32 122.02 46.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 108.277 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 52.5 t80 -87.24 122.63 31.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.0 t70 -89.99 -81.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.61 1.194 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.18 -14.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -66.05 -41.38 90.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.84 110.62 31.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 -5.3 16.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -8.02 65.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.605 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.1 m -121.62 -177.26 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.371 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 117.5 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.544 ' O ' ' CD1' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.04 27.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.833 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 35.1 t -171.43 101.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.64 -167.22 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.589 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 67.77 19.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.689 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -96.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.769 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -95.19 42.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.589 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.6 mm100 -59.57 -21.61 60.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 45.8 mt-10 -48.67 -22.41 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.22 -59.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 14.7 mt-10 -152.02 22.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -105.07 -65.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 108.288 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 0.8 OUTLIER -56.78 -52.34 65.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.543 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.72 170.53 10.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.552 ' O ' HG12 ' 1' ' 19' ' ' VAL . 45.6 t -96.59 18.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.69 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.28 -35.85 28.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.63 62.3 4.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -90.64 144.0 29.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.97 21.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -122.93 18.51 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.559 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.3 127.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -164.55 151.24 9.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.442 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 52.55 3.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.06 -20.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.612 1.195 . . . . 0.0 109.318 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.589 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -97.8 -43.69 7.04 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.9 m -55.99 -52.06 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -66.86 -6.12 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -102.71 -26.69 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.604 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.77 -23.32 29.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.44 25.16 2.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 38.6 m -120.71 -177.05 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.585 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -128.19 126.23 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.249 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.28 121.57 30.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.24 -82.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.4 OUTLIER 85.47 -23.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 4.1 mtp180 -62.27 -44.42 96.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.444 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -119.79 107.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.5 1.789 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.92 -3.98 61.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.583 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -122.01 -175.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.583 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.1 118.38 5.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.571 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -92.71 30.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.055 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.3 t -168.83 108.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.374 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.602 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.25 -170.45 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.6 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.48 70.01 23.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.602 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.98 -100.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.845 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -90.14 33.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.3 mm-40 -56.21 -23.85 38.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.632 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.26 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.96 -78.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.01 24.32 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 6.7 t -105.36 -60.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.186 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.632 HG22 ' O ' ' 1' ' 54' ' ' GLU . 3.1 t -63.42 -29.21 70.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.3 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 19.4 mtt180 -90.26 -178.3 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.563 ' O ' HG12 ' 2' ' 19' ' ' VAL . 47.1 t -110.14 18.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.6 OUTLIER 33.34 84.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 5.3 t -49.61 -37.22 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 108.243 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.04 61.58 3.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.63 ' CE2' ' SG ' ' 2' ' 21' ' ' CYS . 0.2 OUTLIER -91.27 149.38 39.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 0.794 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.07 -7.03 18.74 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -123.63 12.59 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.616 179.902 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.817 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.11 115.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.574 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -161.68 157.23 20.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.475 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 48.56 2.03 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.59 1.837 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 4.5 tttt -178.44 -17.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.207 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.574 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -99.55 -43.53 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 96.1 m -56.98 -55.86 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.07 -10.34 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -95.02 -31.71 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.486 ' HB2' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -85.45 -27.81 25.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.542 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 121.5 26.53 1.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 82.6 m -123.22 164.32 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.548 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -111.45 122.74 48.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 34.0 t80 -85.35 123.03 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.587 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.75 -82.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -64.05 -44.32 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.452 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.5 OUTLIER -117.37 109.3 42.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.8 17.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.781 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.43 -3.97 62.72 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.559 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER -121.16 -177.57 0.5 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.16 4.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.84 27.91 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 107.991 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.817 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.7 t -171.18 101.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.696 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.82 -167.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.16 66.93 43.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.692 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.05 -96.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.422 1.749 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.754 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -96.06 42.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.578 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.7 mm100 -57.07 -16.98 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.6 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -48.14 -19.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.78 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.77 10.9 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 1.3 t -86.61 -61.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.6 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.8 t -49.56 -38.62 31.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 110.952 -179.975 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.9 mtt180 -91.38 171.69 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.577 ' O ' HG12 ' 1' ' 19' ' ' VAL . 48.6 t -98.69 17.27 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 32.97 85.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.73 -36.91 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.05 62.78 2.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.581 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.7 OUTLIER -91.64 156.32 43.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.23 20.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -132.58 53.43 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.694 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -74.65 125.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.521 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -165.29 157.22 13.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.04 55.61 4.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.13 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.521 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.1 mp0 -99.76 -48.8 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.3 m -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -66.98 -4.53 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 48.6 t-20 -104.75 -27.16 11.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.85 -25.08 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 -179.939 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.06 26.21 2.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.8 m -120.91 -177.84 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -129.53 122.16 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 108.276 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 54.8 t80 -87.93 123.55 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.5 t70 -90.39 -84.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 89.6 -15.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.936 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -64.28 -43.46 94.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.1 mt -121.77 109.39 34.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.86 -6.24 62.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.586 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -122.14 -175.61 0.37 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.261 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 117.38 4.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.441 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -92.48 30.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.694 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 51.8 t -171.62 110.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.621 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -146.65 -168.34 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.645 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.55 69.26 15.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.621 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.05 -100.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.882 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -88.28 31.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.645 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.0 mm100 -53.33 -24.36 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.5 ' HG2' HG22 ' 1' ' 58' ' ' THR . 0.7 OUTLIER -38.0 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.2 -55.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -139.78 21.03 2.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 0.6 OUTLIER -96.6 -74.65 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.5 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -61.61 -41.71 97.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.539 ' O ' ' CG ' ' 1' ' 59' ' ' PHE . 70.4 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 58.9 t0 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.592 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.3 mtt180 -93.12 174.54 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 20.8 t -103.72 17.4 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.4 t0 34.67 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -50.9 -36.92 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 108.324 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.15 59.56 9.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.618 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.15 140.6 25.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.22 13.73 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.592 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.13 125.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.768 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.43 154.85 11.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.88 47.25 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.6 tttp -179.55 -19.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.768 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -95.62 -44.5 7.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.9 m -55.63 -55.69 29.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.332 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.35 -12.39 13.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.4 t30 -93.0 -30.28 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.618 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.81 -25.85 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.64 24.48 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.1 m -121.13 168.64 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.516 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -114.8 128.69 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 49.2 t80 -93.55 119.36 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 32.2 t70 -83.24 -81.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.73 -14.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.07 -45.95 79.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.059 . . . . 0.0 110.34 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.476 ' HB ' HG13 ' 2' ' 45' ' ' VAL . 0.8 OUTLIER -121.05 113.52 32.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -5.0 16.24 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.71 61.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.518 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.94 179.96 0.84 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 114.89 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -90.97 30.27 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 108.009 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.672 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.2 t -169.93 105.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.659 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.62 -167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 1.188 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.555 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.79 68.96 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.659 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -93.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.446 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -101.37 40.05 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.555 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.0 mm100 -50.29 -20.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -40.29 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.317 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.31 -68.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.27 9.54 3.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.8 -53.0 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 108.262 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.428 HG22 ' O ' ' 2' ' 54' ' ' GLU . 4.1 t -73.08 -32.42 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 -179.963 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.6 mtt180 -50.57 -178.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 ' O ' HG12 ' 1' ' 19' ' ' VAL . 38.5 t -113.37 20.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 32.54 88.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -50.16 -34.97 24.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 108.28 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.73 59.46 6.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.617 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.05 143.48 28.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.972 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.4 Cg_endo -75.06 -8.88 20.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 35.4 m170 -119.76 13.03 12.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.2 p -37.87 125.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.571 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.73 154.82 7.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.389 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 53.17 3.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.66 -19.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.571 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -99.08 -43.95 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 59.9 m -56.13 -52.35 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.68 -1.98 8.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 18.2 t-20 -101.81 -33.36 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.617 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.64 -24.61 36.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.32 24.39 2.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.3 m -115.53 179.19 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.3 t -123.95 125.73 45.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 108.306 -179.921 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -89.32 120.03 30.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.563 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -83.15 -83.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -64.45 -44.52 90.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.2 107.82 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 17.8 Cg_endo -75.08 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.439 1.757 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.73 -6.32 65.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.562 ' CB ' ' CD ' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -121.27 -175.57 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 119.41 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.45 27.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 108.072 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.636 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 14.9 t -167.99 109.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.66 -171.97 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.87 71.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.614 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.96 -99.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.544 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -91.66 33.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.5 mm-40 -53.53 -18.46 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.0 -25.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.6 -69.44 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -127.62 22.24 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.0 t -99.75 -73.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.422 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -50.53 -29.28 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.1 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 8.1 t70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.614 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 14.4 mtt180 -92.44 170.34 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.1 t -92.8 13.31 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 1.4 t0 35.01 80.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.689 ' SG ' ' CD1' ' 2' ' 23' ' ' TYR . 2.2 t -47.84 -37.68 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 108.342 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.82 60.79 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.808 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.2 m-85 -93.06 157.69 38.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -12.79 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.502 ' CG ' ' HG2' ' 2' ' 30' ' ' GLU . 0.8 OUTLIER -115.4 5.05 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.835 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.3 p -38.02 115.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.731 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -165.26 161.53 14.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.49 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 49.96 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.99 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.731 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -93.28 -45.05 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 92.6 m -54.48 -57.09 12.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -12.78 12.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 8.1 t30 -88.48 -36.3 16.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.48 -25.81 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 117.68 24.28 3.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.2 m -112.61 170.92 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.568 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.31 125.43 52.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 108.316 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.7 t80 -91.84 119.57 31.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 24.4 t70 -88.02 -83.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.68 -16.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -61.93 -43.53 98.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.93 110.21 33.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.45 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.94 14.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -8.2 63.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.604 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -121.46 -175.74 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.45 ' NE1' ' HA ' ' 2' ' 43' ' ' PRO . 0.0 OUTLIER -91.45 29.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.835 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 38.2 t -171.61 116.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 108.37 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.687 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -153.71 -166.9 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.528 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.2 69.57 20.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.687 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -104.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.425 ' H ' ' HB2' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -91.29 39.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 23.0 mm100 -49.97 -19.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.591 ' HB2' HG21 ' 2' ' 58' ' ' THR . 12.2 pt-20 -42.71 -23.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.72 -66.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -138.45 15.79 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.07 -57.78 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.591 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 7.0 t -66.59 -27.64 67.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 41.5 t0 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.563 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 16.0 mtt180 -91.82 173.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.9 t -101.48 17.46 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 34.12 85.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.637 1.211 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.636 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 4.1 t -46.82 -39.17 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.6 61.02 2.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' SG ' ' 1' ' 21' ' ' CYS . 1.5 m-85 -91.84 153.38 43.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.64 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -137.86 46.97 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.663 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -73.35 127.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.683 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -163.05 155.39 15.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.632 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.08 52.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.683 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -96.66 -46.76 6.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' 1' ' 26' ' ' VAL . 9.5 m -55.4 -53.46 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.57 -6.64 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.7 t30 -101.3 -29.38 12.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -82.64 -28.08 30.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.512 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 123.66 27.09 1.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 74.5 m -119.47 -177.98 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 7.4 t -127.72 121.02 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 42.6 t80 -88.11 123.44 32.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.2 t70 -91.45 -80.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.64 -13.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -65.25 -43.47 91.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.3 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.424 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.0 OUTLIER -121.88 111.64 32.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.54 -4.82 59.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.573 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -120.99 -177.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.4 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.4 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 28.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.943 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.663 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.4 t -171.99 107.25 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -140.38 -167.69 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.638 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.8 67.83 41.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -100.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -87.57 36.25 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.638 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -59.72 -20.87 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -48.68 -21.1 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -44.49 -64.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.49 16.85 11.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 42.6 t -97.95 -87.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.8 t -44.71 -33.36 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 1' ' 58' ' ' THR . 40.1 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 23.5 t70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.653 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -49.3 -179.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -114.95 18.45 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.52 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.85 -33.82 62.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.18 57.77 17.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -91.39 139.62 25.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.6 Cg_endo -74.9 -8.4 20.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -125.59 29.68 5.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -50.08 121.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.616 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -169.6 155.35 5.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 50.44 2.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.4 tttt -174.98 -22.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.616 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.2 OUTLIER -97.89 -45.56 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.6 m -63.38 -55.38 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.1 -5.34 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 14.6 t30 -104.23 -29.58 10.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.497 ' C ' ' CD ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -86.49 -29.92 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.484 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.47 1.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.3 m -120.95 168.95 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.471 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 4.7 t -115.35 128.16 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.6 t80 -95.47 121.41 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.6 t70 -88.64 -84.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.9 OUTLIER 90.41 -17.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.97 -53.11 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.4 ' HB ' ' HB ' ' 2' ' 45' ' ' VAL . 0.5 OUTLIER -112.83 121.61 38.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.38 -8.92 65.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.59 170.96 4.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 113.65 3.83 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.545 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.92 28.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 -179.978 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.657 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 18.8 t -169.52 101.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.692 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.6 -168.47 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 111.008 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.32 62.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.692 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.93 -98.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.42 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -94.42 38.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.586 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.5 mm100 -49.18 -20.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.897 ' O ' HG22 ' 2' ' 58' ' ' THR . 3.0 pt-20 -41.58 -25.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.85 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.413 ' OE1' HG11 ' 1' ' 19' ' ' VAL . 0.7 OUTLIER -109.72 14.77 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 6.7 t -92.82 -68.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.897 HG22 ' O ' ' 2' ' 54' ' ' GLU . 12.3 t -48.65 -22.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 38.4 t0 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 8.3 mtt180 -91.42 169.37 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 11.4 t -98.37 22.29 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.56 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 27.44 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.7 OUTLIER -48.39 -36.47 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.55 59.91 8.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.94 141.04 26.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 0.748 . . . . 0.0 110.931 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.89 19.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.607 1.846 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.5 32.15 5.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.595 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -54.15 128.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.548 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.16 151.97 6.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 57.1 4.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 175.9 -22.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.548 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -98.73 -46.52 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 21.6 m -55.97 -51.71 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.55 -3.43 8.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t30 -105.64 -27.82 11.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.636 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.88 -25.79 29.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.04 25.49 2.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.8 m -121.22 -178.28 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 8.1 t -126.49 124.69 40.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 48.7 t80 -86.71 121.87 29.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -86.17 -82.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 84.35 -22.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.413 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 2.2 mtp-105 -62.55 -44.19 96.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.532 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.4 OUTLIER -119.98 110.32 36.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.23 17.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.49 -2.5 63.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.565 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -121.46 -177.89 0.54 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.576 0.81 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 117.26 4.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.547 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.17 28.2 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 14.3 t -169.19 105.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.94 -170.15 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.621 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.11 69.24 38.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.615 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.01 -101.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.66 33.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -56.3 -21.31 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.23 -25.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.3 -65.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.445 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.1 mt-10 -135.64 24.69 3.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -104.44 -55.21 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.9 t -68.51 -38.67 81.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 9.1 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.3 mtt180 -90.02 178.78 6.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 12.1 t -109.06 19.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.4 84.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.5 -37.1 16.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 108.328 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.04 59.28 7.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -90.82 142.83 28.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 179.948 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -2.35 12.42 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.413 1.744 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.4 t-160 -125.71 10.85 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.62 122.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.587 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.39 158.05 9.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.963 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -75.02 48.1 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER 179.83 -15.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.587 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.8 OUTLIER -100.34 -45.17 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 97.8 m -55.67 -55.65 29.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.525 1.141 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.19 -11.32 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -91.53 -33.61 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.96 -25.18 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.513 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.42 25.71 2.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.062 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.2 m -121.87 162.46 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.514 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -109.15 125.84 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 108.245 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 40.7 t80 -88.45 120.0 29.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.554 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.7 -83.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.3 t 85.6 -22.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -66.1 -41.83 90.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.09 107.65 37.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 -5.33 16.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.14 -7.25 68.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.614 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.2 m -121.37 -175.54 0.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.614 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 121.11 6.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.46 26.61 2.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.738 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.5 t -168.81 105.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -144.68 -171.26 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.614 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.83 69.28 25.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.653 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -93.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.739 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -99.26 38.17 1.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.614 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.6 mm100 -51.26 -21.29 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -39.33 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.942 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.11 -65.13 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.07 14.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.5 -54.42 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 -179.989 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.433 HG22 ' O ' ' 2' ' 54' ' ' GLU . 6.5 t -61.68 -43.64 98.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.943 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.58 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.6 mtt180 -90.45 171.86 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.6 t -102.24 19.3 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 31.49 86.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.24 -35.5 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.272 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.71 58.71 10.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.16 140.54 25.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 42.0 m-70 -126.75 12.33 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.714 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -37.96 124.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.732 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -164.51 156.33 13.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.54 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.396 1.735 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.03 -19.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.732 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -93.98 -45.71 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 85.9 m -55.43 -56.56 18.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 108.326 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m-80 -61.0 -9.02 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.382 1.051 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 8.5 t30 -95.03 -36.54 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.633 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.02 -23.1 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.13 20.76 3.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.7 m -120.57 156.85 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.524 ' HB2' ' HD2' ' 1' ' 51' ' ' PRO . 0.5 OUTLIER -100.82 125.39 47.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.257 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.29 119.0 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.907 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -79.32 -83.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 1.7 t 85.95 -23.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -64.53 -46.19 83.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.503 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.6 OUTLIER -115.2 109.19 46.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.73 15.82 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.4 -3.7 61.26 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.58 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 0.9 OUTLIER -120.08 -178.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.526 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.511 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.53 29.14 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.714 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 7.4 t -170.12 101.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.357 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -141.05 -171.5 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.627 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.57 68.82 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.932 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.675 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.03 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.57 1.826 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.695 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -91.62 39.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 10.9 mm-40 -54.98 -21.06 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.472 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.5 OUTLIER -43.39 -23.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.75 -67.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -118.27 16.1 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 9.1 t -98.88 -90.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -37.61 -33.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.7 t80 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.507 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 21.2 mtt180 -85.9 178.43 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.678 ' O ' HG12 ' 2' ' 19' ' ' VAL . 87.3 t -108.88 19.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 31.64 90.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -55.94 -31.69 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.333 179.948 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.65 56.01 17.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.445 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -85.55 143.15 38.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.507 0.769 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 -14.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 27.27 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.635 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.6 OUTLIER -43.08 114.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.605 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.44 154.2 7.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 50.06 2.43 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.2 tttp -170.5 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.605 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -98.64 -44.78 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 16.4 m -62.52 -55.79 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.89 -4.79 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.9 t30 -102.88 -29.95 11.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.479 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.61 -30.64 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.29 23.62 1.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.7 m -118.17 174.79 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.4 t -123.41 124.13 42.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 82.3 t80 -90.88 122.49 33.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -90.26 -83.72 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 88.06 -15.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -42.73 95.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.413 1.07 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.1 111.34 33.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.416 1.745 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.14 -5.6 62.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.566 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.65 -178.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 116.33 4.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.635 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -90.07 28.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 107.992 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 49.9 t -171.56 107.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 108.285 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.649 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -140.73 -167.92 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.13 68.09 35.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.04 -91.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -104.25 27.36 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.564 ' NE2' ' N ' ' 2' ' 54' ' ' GLU . 0.0 OUTLIER -50.92 -14.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.564 ' N ' ' NE2' ' 2' ' 53' ' ' GLN . 1.2 pp20? -50.39 -18.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.47 1.106 . . . . 0.0 110.205 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.609 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -34.23 -66.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 14.07 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.23 -79.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.7 OUTLIER -48.09 -25.47 1.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.909 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.5 mtt180 -90.25 172.57 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.2 t -105.15 19.2 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.48 86.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.57 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.72 -35.46 31.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 61.52 6.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.0 143.57 28.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 179.919 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.92 -5.99 17.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -124.93 13.67 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.669 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -37.84 124.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.735 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -165.03 154.64 11.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.988 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.93 51.39 2.75 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.551 1.816 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 178.41 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 -179.945 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.735 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -94.91 -45.21 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 79.4 m -55.79 -56.1 24.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m-80 -61.48 -9.01 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.6 t-20 -98.84 -31.53 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.603 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.98 -22.97 31.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.98 16.75 4.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 15.1 m -120.61 157.49 29.43 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' HB2' ' CG ' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -103.12 126.94 50.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 179.913 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 43.4 t80 -90.87 118.18 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.0 t70 -82.48 -82.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 88.75 -16.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -58.91 -59.71 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.4 ' HB ' ' HB ' ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -108.05 125.41 32.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -14.27 21.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.507 1.793 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.75 65.31 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.873 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.43 169.1 7.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.873 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.414 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -87.01 29.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.669 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 7.9 t -169.65 99.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.327 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -142.41 -171.07 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.617 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.5 70.08 12.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.728 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -97.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.707 ' O ' HD12 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -93.87 32.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.617 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.1 mm100 -52.31 -22.53 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.489 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -38.92 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -34.13 -67.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.405 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.5 mt-10 -137.12 25.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 2.9 t -105.63 -49.82 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.489 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 2.4 t -78.74 -39.81 35.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 41.0 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 39.1 t0 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.4 mtt180 -48.57 179.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 ' O ' HG12 ' 2' ' 19' ' ' VAL . 22.9 t -113.77 20.02 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.44 89.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -53.74 -33.69 56.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.77 55.12 30.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.15 136.24 29.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -4.6 15.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -124.41 21.36 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.602 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.3 p -43.45 123.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.723 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -165.63 152.52 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.06 48.27 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.21 -23.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.723 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -92.6 -44.85 8.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.0 m -61.43 -58.75 6.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.47 -8.45 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.7 t30 -101.31 -28.08 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.36 -25.99 21.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.88 22.12 2.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.6 m -120.77 164.87 15.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 6.3 t -112.08 128.04 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.236 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 58.5 t80 -95.29 120.76 36.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 20.6 t70 -88.06 -82.62 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.55 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 88.27 -15.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -60.52 -53.11 61.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -116.02 125.22 28.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -14.76 21.01 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.554 1.818 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.99 -9.27 68.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.918 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.51 170.16 5.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.918 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.07 115.21 4.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.602 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.28 28.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 108.029 179.987 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.584 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.4 t -169.64 100.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.685 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -138.0 -169.27 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.32 68.29 48.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.667 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -98.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.407 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.3 OUTLIER -95.5 35.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -47.14 -22.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -36.67 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.48 -65.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -134.99 11.9 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -87.06 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 1.4 t -66.3 -51.61 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.509 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.0 mtt180 -90.82 173.91 7.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 7.0 t -106.17 19.28 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.76 87.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -51.16 -35.71 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.23 63.2 4.48 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -91.84 141.15 25.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.43 0.724 . . . . 0.0 110.992 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.06 -7.26 18.95 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -123.58 17.35 9.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 109.575 -179.987 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.577 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.03 128.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.669 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.74 152.47 8.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.471 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 51.18 2.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.73 -20.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.669 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -96.2 -42.77 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.577 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 50.6 m -58.57 -51.24 70.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.477 HD21 ' H ' ' 1' ' 38' ' ' PHE . 21.4 m120 -67.55 -4.25 11.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -105.12 -27.51 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.634 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.7 -23.95 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.196 -179.942 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.84 23.76 3.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.3 m -120.53 -178.77 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.37 125.87 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 58.9 t80 -90.55 121.9 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 23.3 t70 -90.57 -81.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.79 -15.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -59.66 -54.36 47.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -115.07 124.75 29.81 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.66 21.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.88 -9.82 65.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.565 1.165 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.34 169.72 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 113.12 3.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.433 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.82 29.65 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.8 t -170.54 98.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.27 -170.61 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.63 69.39 16.35 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.919 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.619 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.0 -100.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.409 ' O ' ' HG ' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -90.38 34.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -54.57 -18.89 4.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.79 -25.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.916 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.01 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.39 1.057 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.487 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.6 mt-10 -128.82 27.91 5.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.3 t -108.12 -56.83 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -72.4 -29.39 63.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.658 ' O ' HG21 ' 2' ' 19' ' ' VAL . 3.4 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 38.6 t70 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.2 mtt180 -92.81 178.73 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.671 ' O ' HG12 ' 2' ' 19' ' ' VAL . 96.8 t -108.4 19.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 33.03 84.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.529 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -47.42 -37.61 11.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.19 59.46 7.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.633 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.7 OUTLIER -92.3 146.0 31.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -8.57 20.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -119.45 10.19 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.582 180.0 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -37.87 121.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.607 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.85 157.97 10.71 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.89 48.46 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.87 -16.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.607 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -99.41 -44.6 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.7 m -55.76 -55.64 29.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.366 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.06 -9.89 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -92.16 -35.6 13.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.6 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.66 -26.2 32.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.49 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.75 25.25 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 65.7 m -117.18 168.26 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.0 t -111.99 131.3 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.256 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.3 t80 -94.56 118.9 32.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.38 -83.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.09 -21.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -65.66 -43.53 89.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.232 -179.924 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.491 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.4 OUTLIER -120.0 109.71 37.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.51 61.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.576 ' CG2' ' NH1' ' 2' ' 18' ' ' ARG . 0.9 OUTLIER -120.53 -177.54 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.492 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.49 29.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 179.933 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.767 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.6 t -169.39 112.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -149.74 -169.91 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.642 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.02 70.75 61.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.609 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.03 -98.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.408 1.741 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -92.67 31.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.6 mm100 -44.42 -23.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.8 pt-20 -37.96 -27.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.98 -59.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.64 17.53 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -93.27 -69.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 108.315 -179.956 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.414 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 5.8 t -61.65 -41.28 97.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.987 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t0 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 9.5 mtt180 -90.38 175.74 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.568 ' O ' HG12 ' 1' ' 19' ' ' VAL . 46.1 t -104.49 19.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.54 85.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.573 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.65 -35.71 14.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.893 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.49 61.69 5.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.99 141.07 26.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -125.57 18.35 8.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.593 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -41.11 127.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.741 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -163.44 152.2 11.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.993 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.98 2.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.987 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.28 -22.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.741 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -94.89 -44.4 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 37.6 m -55.43 -52.2 64.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -67.56 -3.36 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t-20 -105.53 -26.4 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.414 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.32 -25.55 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.91 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.8 23.49 2.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.971 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -121.04 -177.33 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.573 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -127.79 126.73 42.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 108.33 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 40.6 t80 -89.08 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.573 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.31 -82.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 86.23 -23.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.004 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 5.4 mtp-105 -64.4 -43.3 94.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.406 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 1.1 mt -120.92 106.49 39.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.8 -6.2 63.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.598 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.0 OUTLIER -121.2 -176.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.368 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.598 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.91 118.92 5.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.96 29.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 107.982 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.4 t -168.49 103.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.9 -170.25 3.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.664 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.82 69.51 17.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.604 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.909 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.48 28.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.664 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.6 mm-40 -54.16 -22.89 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.506 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.6 OUTLIER -39.29 -28.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.05 -67.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -130.42 25.12 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 5.2 t -104.32 -55.61 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.506 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 11.6 t -78.55 -38.2 40.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 79.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 55.3 t0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.627 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.5 mtt180 -93.25 176.07 6.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 11.6 t -108.72 18.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 34.97 87.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.88 -31.99 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 38.5 58.54 1.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.157 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.74 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.0 OUTLIER -90.37 153.65 46.36 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.473 0.749 . . . . 0.0 110.873 -179.874 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -9.71 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -117.63 6.87 12.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.869 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -38.28 113.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.716 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -163.67 163.79 15.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.92 47.53 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -21.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.716 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.2 OUTLIER -94.42 -43.24 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' 2' ' 26' ' ' VAL . 85.2 m -54.18 -56.28 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -12.07 23.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -83.49 -38.82 21.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.584 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.35 -27.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.88 26.31 2.57 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 35.7 m -110.31 176.37 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.5 t -120.8 126.5 50.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 89.8 t80 -94.19 116.27 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.1 t70 -84.96 -82.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 89.94 -18.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -60.09 -40.69 90.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.428 ' HB ' ' HB ' ' 2' ' 45' ' ' VAL . 1.3 mt -120.28 119.58 30.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.43 19.71 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.93 -7.62 65.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.897 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.45 170.2 5.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.584 0.814 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.897 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 111.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -85.87 32.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.869 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.9 t -171.15 108.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -150.53 -171.13 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.583 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.21 73.33 27.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -109.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 1.037 ' O ' HD22 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.16 32.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.393 179.908 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.595 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 27.6 mm-40 -42.29 -24.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.531 ' HG2' HG21 ' 2' ' 58' ' ' THR . 0.4 OUTLIER -33.76 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.64 -62.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -140.28 16.27 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.62 -62.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.99 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.531 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 0.8 OUTLIER -67.79 -47.7 68.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.951 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.436 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 1.7 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 51.3 t0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.642 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.1 mtt180 -53.18 177.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.3 t -111.6 19.31 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.34 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.1 t -49.04 -34.22 13.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.89 59.81 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' OH ' ' CE2' ' 2' ' 23' ' ' TYR . 0.6 OUTLIER -92.76 142.89 26.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.0 -7.89 19.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -121.77 19.88 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.535 179.98 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.668 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.6 p -46.92 128.05 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.557 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.57 151.94 8.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.613 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 53.28 3.28 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.41 1.742 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.37 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.557 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.7 OUTLIER -99.71 -45.73 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.906 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 14.9 m -54.92 -52.24 63.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -67.33 -4.09 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -103.82 -28.7 11.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.6 -30.34 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.15 25.58 1.18 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 -179.907 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 59.5 m -120.53 -177.69 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 7.2 t -126.86 126.92 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -81.09 129.52 34.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.584 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 9.5 t70 -71.13 -99.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.4 t 92.09 -9.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.938 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.401 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 8.6 mtp180 -91.34 -54.78 3.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.934 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.558 ' O ' ' OD2' ' 1' ' 39' ' ' ASP . 0.9 OUTLIER -117.83 122.21 30.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.16 21.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.31 -7.34 69.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.886 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.38 170.96 5.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 117.28 4.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.09 30.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.668 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 8.9 t -168.26 97.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.658 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.79 -174.09 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.56 71.01 47.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -91.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.4 15.85 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.578 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 27.9 mm100 -49.3 -23.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.584 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.87 -25.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -56.7 -85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.51 3.17 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 19.9 t -99.28 -73.37 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.584 HG22 ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -45.73 -39.65 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.425 179.978 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 35.0 t0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.589 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.2 mtt180 -91.55 173.72 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -104.49 19.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER 32.8 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 4.2 t -47.46 -35.41 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.57 57.69 3.21 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.642 ' O ' HG12 ' 2' ' 26' ' ' VAL . 3.1 m-30 -91.63 146.71 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -122.88 11.26 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.671 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -41.32 124.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.764 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -164.85 154.21 11.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 47.34 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.81 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 24.1 tttt -178.95 -20.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.764 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mt-10 -94.82 -44.64 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.218 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.1 m -55.2 -56.19 22.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.05 -13.14 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -94.34 -28.04 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -86.32 -27.2 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.516 ' HA3' ' HZ1' ' 1' ' 50' ' ' LYS . . . 120.96 24.15 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.6 m -118.44 177.5 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.553 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.2 t -123.99 127.85 48.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.4 t80 -92.87 123.65 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.8 t70 -91.02 -82.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 88.62 -15.88 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -60.0 -51.27 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 179.957 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.36 125.14 28.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.913 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -15.53 20.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.25 -10.29 68.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.885 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.91 169.64 6.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.885 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.406 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -86.31 29.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.038 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.754 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 34.7 t -171.52 101.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.711 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.86 -168.13 2.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.92 66.92 30.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.711 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.95 -88.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.895 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -103.88 27.42 7.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -48.4 -17.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.406 1.066 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.524 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.55 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.11 -64.83 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.78 15.71 6.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 33.2 t -92.56 -79.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.524 HG22 ' O ' ' 2' ' 54' ' ' GLU . 9.8 t -42.83 -38.84 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.943 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.7 mtt180 -92.98 179.88 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.388 179.929 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.78 20.15 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.1 OUTLIER 34.46 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.597 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -56.8 -33.72 66.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.98 54.79 21.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.632 ' CE2' ' SG ' ' 1' ' 36' ' ' CYS . 0.1 OUTLIER -90.31 140.39 27.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -12.87 21.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.8 10.01 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.608 HG12 ' O ' ' 1' ' 23' ' ' TYR . 2.0 p -41.24 128.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.631 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -169.21 153.69 5.56 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.157 . . . . 0.0 110.421 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' O ' ' HB2' ' 1' ' 29' ' ' LYS . 18.4 Cg_endo -74.94 59.59 5.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 166.2 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.631 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -93.92 -45.7 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 22.8 m -53.6 -50.71 65.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' 1' ' 37' ' ' CYS . 2.4 m-80 -75.47 8.29 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 44.0 t30 -106.72 -40.54 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.93 -37.58 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 139.98 23.41 0.3 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.632 ' SG ' ' CE2' ' 1' ' 23' ' ' TYR . 65.9 m -118.91 165.27 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.582 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 19.9 t -111.77 126.15 54.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.373 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' 1' ' 27' ' ' THR . 36.3 t80 -92.69 119.51 32.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' 1' ' 41' ' ' ARG . 49.4 t0 -79.86 -82.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 84.05 -31.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -63.3 -40.26 96.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.501 ' CG2' HG13 ' 1' ' 45' ' ' VAL . 0.2 OUTLIER -120.31 104.08 43.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.909 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -5.82 17.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.49 -5.38 67.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.583 ' CG2' ' NH1' ' 1' ' 18' ' ' ARG . 1.0 OUTLIER -121.64 -176.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.44 28.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.019 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.4 t -167.72 103.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.674 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.99 -168.79 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.972 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.603 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -126.07 68.91 65.5 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 109.23 -179.963 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.603 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.95 -99.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.76 37.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.7 mm100 -56.49 -23.51 39.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.426 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -43.01 -23.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.46 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -43.69 -65.07 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.81 17.94 11.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 36.6 t -98.16 -86.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.469 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 7.9 t -42.61 -26.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.7 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 t0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 17.7 mtt180 -90.16 174.64 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.6 t -101.06 20.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.46 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 8.8 t -49.37 -35.7 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.1 45.57 95.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.491 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -82.52 135.34 46.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.05 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.61 24.06 9.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.67 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.6 OUTLIER -43.65 119.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.72 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -163.42 149.6 9.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 50.2 2.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -176.69 -25.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.72 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -92.69 -44.34 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.3 m -62.57 -57.58 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -61.62 -6.84 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 23.5 t30 -105.39 -25.68 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.97 -28.09 19.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.529 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.26 20.51 1.99 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 96.9 m -120.46 168.03 11.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.8 t -116.88 128.17 54.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.082 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 55.6 t80 -91.06 123.5 34.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.555 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 1.2 t70 -86.7 -85.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.1 t 90.4 -20.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . 0.433 ' N ' ' OD2' ' 2' ' 39' ' ' ASP . 4.5 mtp180 -61.88 -48.07 82.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.571 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.9 OUTLIER -116.14 112.48 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.913 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -7.03 18.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.03 0.18 60.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.571 HG13 ' CG2' ' 2' ' 42' ' ' ILE . 1.0 OUTLIER -120.95 -178.1 0.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.67 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.6 28.37 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.977 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 30.7 t -170.31 103.97 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.667 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.29 -168.7 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.72 68.93 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.924 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.632 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.02 -97.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.455 1.766 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.417 ' O ' ' CG ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -95.34 38.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -52.52 -18.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.888 ' O ' HG22 ' 2' ' 58' ' ' THR . 3.5 pt-20 -41.94 -25.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.01 -85.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -111.74 17.39 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -95.59 -68.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 108.364 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.888 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.9 t -43.58 -25.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' 2' ' 57' ' ' CYS . 12.2 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 43.1 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.594 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 8.3 mtt180 -93.19 175.87 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.1 t -106.87 16.52 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 38.6 86.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.628 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 1.9 t -46.76 -38.74 10.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.5 56.79 6.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.166 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.647 ' O ' HG12 ' 1' ' 26' ' ' VAL . 1.7 m-85 -91.63 148.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.14 13.43 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 179.968 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -44.6 125.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.666 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.7 155.18 9.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.364 179.948 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.597 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -74.94 52.08 2.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.62 -20.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.666 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -96.66 -44.49 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.8 m -56.21 -53.17 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.03 -2.45 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 35.7 t-20 -105.27 -28.92 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -85.19 -26.89 26.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.75 26.46 1.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 72.0 m -119.85 176.66 5.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -121.54 123.4 41.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 37.8 t80 -93.96 119.08 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 33.3 t70 -85.68 -79.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.6 -14.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -66.17 -42.21 89.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 mt -122.38 109.25 33.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.14 -7.52 62.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.609 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 1.1 m -121.33 -175.94 0.38 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.609 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 117.21 4.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.453 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -92.98 28.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 107.988 179.978 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.729 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.9 t -170.48 108.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.616 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -145.51 -168.61 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 -179.978 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -124.11 70.27 51.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.616 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -100.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.72 33.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 27.8 mm100 -52.36 -19.41 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 179.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.548 ' HB2' HG21 ' 1' ' 58' ' ' THR . 7.3 pt-20 -40.92 -26.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.45 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . 0.468 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER -127.73 24.2 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.933 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.2 t -105.11 -53.03 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.548 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 2.5 t -80.65 -37.71 30.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.6 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.642 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 21.4 mtt180 -87.96 175.52 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 110.335 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.557 ' O ' HG12 ' 2' ' 19' ' ' VAL . 44.9 t -105.92 19.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.63 85.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.08 -36.13 28.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.353 179.969 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.69 58.45 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.669 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.99 141.93 26.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.737 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.0 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.77 10.5 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.562 -179.957 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.721 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.76 122.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.626 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.86 159.17 9.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.95 47.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER 179.56 -15.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.626 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -99.17 -46.89 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 86.9 m -54.26 -56.79 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.31 -11.84 11.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -89.74 -35.85 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.669 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.59 -25.44 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.967 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.544 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.59 25.82 2.77 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.141 . . . . 0.0 111.067 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 59.8 m -120.46 161.79 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.541 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -108.01 125.81 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.334 179.968 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 36.4 t80 -87.68 120.76 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.567 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.07 -83.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.67 -22.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -64.81 -44.03 91.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.457 ' CG2' HG13 ' 2' ' 45' ' ' VAL . 0.9 OUTLIER -118.45 109.67 40.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -6.86 18.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.45 -4.55 65.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 1.0 OUTLIER -120.46 -177.14 0.45 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 120.22 5.97 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.586 1.835 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.09 26.69 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 -179.993 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.721 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t -168.98 105.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.654 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.04 -170.97 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.051 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.618 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.69 39.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.639 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.98 -91.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.785 ' O ' HD12 ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -100.84 38.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.618 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 pp20? -39.19 -26.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.18 -61.92 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -136.76 14.69 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.381 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -90.58 -80.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 -179.975 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' 1' ' 54' ' ' GLU . 6.0 t -46.9 -32.32 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.442 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.056 179.948 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.4 mtt180 -91.18 177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 19' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.73 20.04 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.73 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 21' ' ' CYS . . . . . 0.571 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.3 t -52.15 -34.35 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.383 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 64.58 2.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 1' 1 ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.25 140.59 24.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.995 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -2.05 12.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -130.47 19.4 5.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.666 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 1' 1 ' 26' ' ' VAL . . . . . 0.575 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.29 128.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.366 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 27' ' ' THR . . . . . 0.708 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -163.34 152.2 12.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.432 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 51.81 2.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 29' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.71 -21.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 30' ' ' GLU . . . . . 0.708 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -95.46 -43.46 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 31' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 40.6 m -56.36 -50.7 70.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 32' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -69.05 -3.43 13.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 28.1 t30 -104.42 -27.35 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 34' ' ' ARG . . . . . 0.641 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.49 -26.17 28.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.99 23.55 2.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 36.8 m -120.93 -177.54 3.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 6.6 t -126.91 126.4 43.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 55.7 t80 -89.56 123.1 33.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.6 t70 -91.3 -82.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 40' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 1.0 OUTLIER 88.9 -15.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -58.53 -60.53 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 1' 1 ' 42' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' 1' ' 43' ' ' PRO . 0.2 OUTLIER -110.45 126.54 28.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.921 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -13.09 21.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.9 -8.85 64.64 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 1' 1 ' 45' ' ' VAL . . . . . 0.877 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.01 169.5 6.7 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 46' ' ' PRO . . . . . 0.877 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 113.02 3.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 47' ' ' TRP . . . . . 0.422 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.41 28.65 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 108.027 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 48' ' ' CYS . . . . . 0.571 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 11.6 t -169.79 98.92 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.84 -169.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 50' ' ' LYS . . . . . 0.606 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.55 68.5 21.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 51' ' ' PRO . . . . . 0.654 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.94 -99.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 52' ' ' LEU . . . . . 0.893 HD23 ' C ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -88.11 32.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.2 mm100 -55.86 -21.19 18.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 54' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -44.8 -23.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.0 110.376 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 55' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.83 -64.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.52 22.43 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -102.24 -55.06 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.36 179.912 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 1' 1 ' 58' ' ' THR . . . . . 0.577 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 4.0 t -64.51 -41.45 96.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 1' 1 ' 59' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.8 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 2' 2 ' 17' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.8 t0 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 2' 2 ' 18' ' ' ARG . . . . . 0.649 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 14.3 mtt180 -47.06 175.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 19' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.0 t -108.16 19.43 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.0 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.3 t -41.49 -40.18 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.26 47.72 85.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.563 1.164 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -91.96 132.68 32.08 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.553 0.796 . . . . 0.0 110.98 179.993 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -4.1 14.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.39 13.07 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.615 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 26' ' ' VAL . . . . . 0.605 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -40.53 128.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.188 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 27' ' ' THR . . . . . 0.604 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -166.34 154.31 9.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 28' ' ' PRO . . . . . 0.584 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.01 47.09 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.0 tttt -179.26 -15.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 30' ' ' GLU . . . . . 0.604 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -100.64 -44.5 5.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 110.28 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.9 m -56.92 -56.09 26.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.145 . . . . 0.0 108.24 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 32' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -61.44 -13.43 20.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 2' 2 ' 34' ' ' ARG . . . . . 0.577 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -88.13 -24.94 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.43 21.9 3.89 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 5.6 m -121.49 174.81 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 37' ' ' CYS . . . . . 0.542 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.49 133.09 56.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 38' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.0 t80 -88.85 124.56 34.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 39' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -68.44 -98.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 40' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.7 t 93.31 -11.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 41' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 3.5 mtp-105 -91.12 -59.07 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 42' ' ' ILE . . . . . 0.517 ' O ' ' OD2' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER -109.25 118.32 51.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -11.63 21.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.77 -8.65 65.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 2' 2 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -105.88 170.84 5.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.01 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 47' ' ' TRP . . . . . 0.523 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.32 30.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 108.036 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 1.8 t -169.35 95.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' CD1' ' N ' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.11 -175.36 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 50' ' ' LYS . . . . . 0.513 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -116.95 70.64 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 51' ' ' PRO . . . . . 0.653 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.97 -105.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 52' ' ' LEU . . . . . 0.454 ' C ' ' N ' ' 2' ' 54' ' ' GLU . 0.2 OUTLIER -97.69 37.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 20.4 mm100 -43.11 -24.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 54' ' ' GLU . . . . . 0.606 ' O ' HG22 ' 2' ' 58' ' ' THR . 4.8 pt-20 -40.15 -26.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 55' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.99 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -118.8 22.07 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.63 -72.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.308 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' 2' 2 ' 58' ' ' THR . . . . . 0.606 HG22 ' O ' ' 2' ' 54' ' ' GLU . 12.6 t -47.28 -29.29 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.935 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.823 ' O ' HG13 ' 1' ' 4' ' ' VAL . 2.9 mp0 -90.72 82.54 5.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.991 ' HA ' HD11 ' 1' ' 6' ' ' LEU . 8.0 m-85 -29.96 86.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 111.05 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.823 HG13 ' O ' ' 1' ' 2' ' ' GLU . 32.7 m -136.41 -47.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.249 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.434 ' N ' HG23 ' 1' ' 4' ' ' VAL . . . -68.33 -4.41 37.08 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.991 HD11 ' HA ' ' 1' ' 3' ' ' TYR . 0.2 OUTLIER -125.19 -1.5 7.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.226 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.445 ' OG ' ' N ' ' 1' ' 8' ' ' ALA . 43.0 t -108.48 -145.6 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.982 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.714 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -40.93 142.23 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.591 1.182 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.597 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 89.93 -34.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.499 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -62.89 -43.86 97.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.686 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 21.3 t -63.41 -6.03 4.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.496 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -107.13 21.01 18.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.59 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -40.61 166.43 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.715 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.94 2.85 6.13 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.435 1.756 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' 1' ' 14' ' ' PRO . . . 85.47 52.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.469 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 172.34 45.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.59 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 50.9 t0 -155.03 11.11 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' NH1' HG13 ' 1' ' 45' ' ' VAL . 5.8 mtt180 -92.13 -178.44 4.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.474 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.6 t -116.28 19.94 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.32 88.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.61 -34.54 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 108.252 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.63 56.31 25.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.45 1.094 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.0 OUTLIER -91.75 141.16 25.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.941 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.93 20.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -128.72 44.41 2.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.638 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -62.76 122.12 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.68 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.55 154.29 6.57 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.476 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.06 55.25 3.92 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER -178.36 -26.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.68 ' H ' HG22 ' 1' ' 27' ' ' THR . 3.1 mt-10 -95.35 -47.63 6.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.7 -55.92 19.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -61.99 -6.79 3.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.3 t30 -106.0 -26.93 11.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.5 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.83 -30.48 22.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.54 22.73 1.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.13 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.531 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 75.4 m -121.7 175.63 6.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.6 t -122.3 126.44 48.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.5 t80 -90.76 122.91 33.9 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.566 1.166 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.1 t70 -91.12 -83.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 89.14 -16.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.385 1.053 . . . . 0.0 110.025 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 mtp85 -54.75 -58.03 9.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.579 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -114.75 129.79 24.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.4 Cg_endo -75.04 -14.79 20.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.471 1.774 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.08 -8.11 67.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.446 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.58 169.11 7.2 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.01 114.01 3.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.469 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.54 28.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.638 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 38.0 t -170.81 103.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.339 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.659 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.14 -170.14 2.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.661 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.08 68.9 27.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.686 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -75.03 -97.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.746 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.876 ' C ' HD23 ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.37 31.55 1.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.661 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.1 mm-40 -54.06 -23.99 15.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' 1' ' 58' ' ' THR . 3.5 tt0 -39.2 -27.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.397 1.061 . . . . 0.0 110.261 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.34 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.148 . . . . 0.0 109.349 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -118.25 25.34 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.244 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' HG2' ' 2' ' 50' ' ' LYS . 4.5 t -104.98 -64.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.465 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.7 t -55.92 -46.54 78.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -88.49 49.59 1.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' 2' ' 3' ' ' TYR . 25.7 p90 -91.04 71.18 6.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.436 HG13 ' N ' ' 2' ' 5' ' ' GLY . 6.9 p -125.85 -50.56 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.436 ' N ' HG13 ' 2' ' 4' ' ' VAL . . . -69.99 -1.22 31.83 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.817 HD12 ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -134.37 16.45 3.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 0.792 . . . . 0.0 109.215 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 81.1 p -106.89 -161.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 110.037 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.953 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -66.32 85.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 166.47 -27.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.662 HE21 ' C ' ' 2' ' 51' ' ' PRO . 15.3 tt0 -60.24 -31.92 70.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.732 ' HB2' HD22 ' 2' ' 52' ' ' LEU . 49.5 t -71.96 -2.24 17.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 108.309 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -120.25 7.41 10.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.943 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.67 167.18 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.943 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 27.84 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.529 1.805 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.961 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 49.9 72.77 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 164.86 41.66 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.236 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.517 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 32.1 t0 -161.81 13.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.658 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.5 mtt180 -90.86 176.46 6.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.5 t -105.72 18.55 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.606 1.191 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 86.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 0.0 109.264 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.672 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.9 t -42.39 -40.11 2.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 108.354 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.59 50.54 66.02 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.672 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -92.82 135.17 26.46 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 111.0 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.1 14.9 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.26 25.19 7.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.622 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.637 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -52.48 129.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.623 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.18 155.47 6.35 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 110.41 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.96 47.91 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -177.95 -17.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.623 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -100.26 -46.88 5.13 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.558 1.162 . . . . 0.0 110.242 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.556 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.3 m -57.85 -56.24 24.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 108.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -59.65 -13.86 11.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -97.83 -25.2 15.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.562 ' HB3' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -86.63 -24.44 25.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.261 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.502 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.83 22.77 3.84 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.506 1.128 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 5.3 m -121.03 177.15 5.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.2 t -123.1 130.95 53.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 108.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.429 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 55.5 t80 -92.8 119.4 32.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.48 -83.33 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.247 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.83 -24.03 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -64.81 -43.39 93.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.961 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -120.77 106.04 40.0 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.108 . . . . 0.0 109.34 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.427 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.99 -2.67 12.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.534 1.808 . . . . 0.0 111.068 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.71 -6.08 64.16 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.838 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -121.54 -176.12 0.39 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 118.65 5.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.16 28.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 107.994 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.637 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 33.8 t -168.89 101.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.274 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.671 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -170.91 3.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.504 ' CE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -116.78 67.87 4.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.671 ' HB2' ' N ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -105.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.468 1.773 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.953 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -94.3 40.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.524 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 30.8 mm100 -46.91 -22.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.809 ' HG2' HG21 ' 2' ' 58' ' ' THR . 1.2 mt-10 -37.77 -28.47 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.519 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.4 -70.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.5 mp0 -135.61 19.6 3.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.502 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.88 -63.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 108.338 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.809 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 15.2 t -57.04 -33.07 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 110.988 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -86.95 -129.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.666 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 8.3 m-85 -88.64 81.15 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.047 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.532 HG23 ' N ' ' 1' ' 5' ' ' GLY . 19.2 m -125.66 -57.0 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.532 ' N ' HG23 ' 1' ' 4' ' ' VAL . . . -68.61 2.46 7.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.732 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -145.85 26.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -103.42 163.67 12.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.038 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.71 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -67.69 -5.37 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.44 -9.22 36.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.59 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -64.99 -41.6 95.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.581 1.176 . . . . 0.0 110.266 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.637 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 51.5 t -74.74 0.84 13.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 108.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.6 10.69 24.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.957 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -50.13 165.41 0.32 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.957 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.03 29.05 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 111.037 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.997 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 44.8 57.67 4.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.63 31.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -157.87 16.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.6 mtt180 -87.73 173.13 9.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.536 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 8.8 t -101.7 19.75 2.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.84 86.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.2 OUTLIER -49.92 -35.89 25.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 108.243 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.85 60.51 4.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.573 ' CE2' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.73 146.24 33.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.28 19.86 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -127.72 29.32 5.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 109.617 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.7 p -53.61 127.4 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.609 HG21 ' OE1' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.66 155.21 6.87 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.582 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 55.04 3.84 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.97 -21.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.609 ' OE1' HG21 ' 1' ' 27' ' ' THR . 1.7 mp0 -99.04 -47.6 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 11.1 m -56.11 -52.4 64.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.177 . . . . 0.0 108.274 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -66.39 -3.78 6.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 42.5 t-20 -105.55 -27.91 11.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.573 ' CD ' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.35 -22.69 30.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.16 25.51 2.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.535 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 26.6 m -120.62 -178.01 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -129.41 122.87 30.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.306 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 69.9 t80 -87.8 122.02 30.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 20.2 t70 -91.11 -83.61 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.61 -17.17 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.437 1.086 . . . . 0.0 109.971 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -60.68 -43.97 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -121.07 112.95 33.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.118 . . . . 0.0 109.31 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -6.99 18.76 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.585 1.834 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.67 -4.9 63.44 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.997 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.4 m -120.34 -178.67 0.6 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.631 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.9 116.69 4.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 111.017 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.25 27.98 1.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 108.003 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.676 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 42.6 t -171.0 110.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.335 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.757 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.3 OUTLIER -148.88 -170.35 3.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.32 71.74 12.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.543 1.812 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.71 HD22 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.41 32.34 1.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.595 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.0 mm-40 -53.63 -20.33 5.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.244 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.545 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.99 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.264 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.76 24.11 7.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.543 1.152 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 1.8 t -106.03 -51.1 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.545 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.4 t -85.23 -37.81 19.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 67.87 6.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 110.34 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.641 ' CD2' ' O ' ' 2' ' 3' ' ' TYR . 37.5 p90 -90.85 82.22 5.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.409 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -133.24 -57.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.467 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -68.68 1.87 9.02 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.681 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -145.36 25.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.33 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 27.8 p -106.17 174.7 5.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.946 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 1.003 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -66.2 87.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER 162.86 -24.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -58.77 -36.06 73.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.629 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 42.2 t -68.07 -7.57 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -105.16 9.9 34.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.78 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.5 OUTLIER -40.81 160.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.207 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.601 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -74.93 29.5 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.827 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.993 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 52.34 70.99 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.499 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.86 41.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.78 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 11.0 t70 -159.46 11.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.9 mtt180 -90.79 178.76 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -110.5 21.57 5.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.492 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.1 t0 32.52 87.96 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 109.366 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 7.5 t -49.32 -36.95 22.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.67 53.11 48.83 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.559 1.162 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.418 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.58 139.38 29.72 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -10.47 21.43 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 111.031 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -122.86 30.42 6.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.62 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.9 OUTLIER -50.25 120.34 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.61 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.71 153.96 6.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.362 -179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.457 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.07 51.31 2.78 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.447 1.761 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 7.6 tttt -174.83 -23.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.61 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -98.36 -45.56 6.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.234 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.1 m -63.29 -55.69 22.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 108.34 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -63.75 -5.3 3.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.45 1.094 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.9 t30 -104.87 -29.12 10.71 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' 2' ' 31' ' ' CYS . 0.0 OUTLIER -86.77 -31.93 20.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.47 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 128.61 25.11 1.06 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.095 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 90.3 m -122.48 168.59 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.523 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.1 t -115.21 129.6 56.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.507 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 47.4 t80 -94.77 119.47 33.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.538 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.27 -83.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.538 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.2 t 86.1 -24.33 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.046 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -65.43 -43.22 91.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.993 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.22 106.77 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.242 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.42 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.09 -3.22 13.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.512 1.796 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.04 -6.69 66.64 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.873 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.32 -175.64 0.36 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.457 0.739 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.595 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 121.4 6.52 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.494 1.786 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.62 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.97 27.21 2.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 107.979 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 25.8 t -168.52 101.48 0.42 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.392 1.057 . . . . 0.0 108.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.43 -168.77 2.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.44 68.44 39.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.629 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.97 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.553 1.817 . . . . 0.0 111.024 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 1.003 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -95.06 35.53 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 36.7 mm-40 -53.84 -19.3 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.284 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.4 OUTLIER -44.85 -19.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.366 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.15 -63.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -144.69 16.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.455 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.37 -55.13 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 108.34 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.459 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 2.7 t -64.9 -38.05 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.379 1.05 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.973 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.556 ' HA ' ' CE1' ' 1' ' 3' ' ' TYR . 21.0 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -74.46 -9.78 58.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' 1' ' 3' ' ' TYR . 27.0 p90 -91.3 102.66 15.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 110.996 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.452 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -108.72 -50.5 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.488 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -73.1 10.98 5.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 1.101 HD23 HG23 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -139.0 14.95 2.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 0.789 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.421 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 85.0 p -106.63 175.01 5.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.72 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -62.45 83.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.517 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 7.5 t-20 173.86 -33.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.516 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -60.5 -33.4 72.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.649 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 40.7 t -65.7 -6.54 11.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.316 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -100.21 20.52 14.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.54 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -41.8 167.76 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.259 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.69 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.3 Cg_endo -75.05 2.85 6.2 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.788 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.817 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 83.78 45.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.401 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 175.99 41.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 22.2 t0 -149.66 12.2 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.595 ' NH1' HG23 ' 1' ' 45' ' ' VAL . 3.2 mtt180 -91.06 179.9 5.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -111.69 19.13 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 34.96 89.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -51.92 -34.22 40.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 108.266 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.1 57.66 18.01 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -91.01 144.2 29.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 111.008 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -12.5 21.52 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.08 45.02 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.587 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.743 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -61.45 120.99 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.539 ' HA ' ' CE1' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER -170.17 154.18 4.87 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.444 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.01 58.05 4.78 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.584 1.834 . . . . 0.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -178.99 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.528 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -97.61 -46.43 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.18 -179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.496 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.35 -54.67 29.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.262 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -64.06 -4.77 3.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 24.2 t30 -107.39 -27.42 10.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.49 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.55 -30.76 23.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.606 1.191 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.78 23.59 1.17 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.518 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -121.47 176.26 5.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.551 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -123.29 123.4 40.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 108.361 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 58.4 t80 -90.1 120.79 31.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.8 t70 -86.99 -82.71 0.21 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.567 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 86.33 -14.51 0.51 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -64.4 -45.38 87.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.817 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -121.9 116.88 29.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -8.04 19.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.504 1.792 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.64 -2.95 64.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.717 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -119.65 178.41 1.12 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 115.44 4.29 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.466 1.771 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.454 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -88.5 27.87 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 108.089 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.743 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 48.6 t -170.98 107.86 0.28 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.397 1.061 . . . . 0.0 108.282 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.39 -169.0 2.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.601 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.48 69.34 32.4 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.627 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -98.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.375 1.724 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.72 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -92.38 32.83 1.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.229 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.601 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.1 mm-40 -55.22 -22.67 18.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.2 OUTLIER -40.37 -26.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.71 -72.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.502 1.126 . . . . 0.0 109.215 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.32 24.88 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -104.69 -58.07 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 108.319 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 2.5 t -66.81 -42.34 86.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.332 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.3 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -89.74 74.37 7.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -87.05 79.12 8.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 81.3 t -114.96 -50.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.898 ' O ' HD13 ' 2' ' 6' ' ' LEU . . . -70.82 1.61 22.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.898 HD13 ' O ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -132.26 11.98 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 109.256 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.456 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.4 OUTLIER -108.6 -169.41 1.49 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.556 1.16 . . . . 0.0 109.972 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.664 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -59.93 84.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' 2' ' 7' ' ' SER . 7.9 t-20 171.01 -31.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.636 HE21 ' C ' ' 2' ' 51' ' ' PRO . 14.4 tt0 -61.18 -28.93 69.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.716 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 50.6 t -73.72 -0.92 17.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.323 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -116.69 4.64 13.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.973 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.37 166.64 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.247 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.973 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 27.73 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.0 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 44.91 57.65 4.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.1 OUTLIER -172.04 32.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.257 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -160.45 18.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.0 mtt180 -87.03 176.11 7.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -105.84 19.57 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.223 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 29.98 87.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 109.234 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -47.33 -33.98 6.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 108.337 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.44 49.37 77.2 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.543 1.152 . . . . 0.0 111.058 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.428 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -86.87 133.93 38.33 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.449 0.734 . . . . 0.0 110.961 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.86 25.34 8.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.628 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.735 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.2 p -45.75 121.95 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -168.5 152.89 5.95 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.463 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.498 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -74.98 49.12 2.17 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -175.82 -21.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -97.36 -45.53 6.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 17.7 m -62.33 -56.15 21.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.53 -6.95 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.9 t30 -100.63 -30.98 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -85.95 -29.82 23.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.521 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 126.12 24.27 1.49 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 63.4 m -121.48 166.68 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 1.8 t -114.96 130.4 56.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 108.32 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.72 ' CE2' HG22 ' 2' ' 26' ' ' VAL . 9.0 t80 -99.37 118.33 35.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.1 t70 -81.58 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.8 OUTLIER 87.15 -14.57 0.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.96 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -68.14 -43.23 78.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.84 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.3 OUTLIER -120.06 111.76 35.29 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -5.18 16.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.771 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.31 -2.56 60.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 1.0 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -119.75 179.93 0.8 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.563 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 115.09 4.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.735 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.63 28.07 1.38 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.468 1.105 . . . . 0.0 108.02 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.535 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 23.2 t -169.53 102.08 0.33 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.544 1.152 . . . . 0.0 108.308 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.63 -170.95 2.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.411 ' HG3' ' HG3' ' 2' ' 53' ' ' GLN . 2.9 mppt? -120.22 69.08 14.26 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.659 ' HB2' ' N ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.01 -104.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.491 1.785 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.716 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -95.7 42.86 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' 2' ' 35' ' ' GLY . 21.4 mm100 -52.1 -18.96 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.53 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.96 -24.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.95 -65.36 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.1 23.61 2.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.453 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -102.64 -54.91 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.283 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 1.101 HG23 HD23 ' 1' ' 6' ' ' LEU . 7.2 t -66.0 -41.87 90.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.362 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 111.07 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' 1' ' 3' ' ' TYR . 1.2 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -67.34 65.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.631 ' HD1' HD23 ' 1' ' 6' ' ' LEU . 9.2 m-85 -69.8 90.46 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.57 HG23 ' N ' ' 1' ' 5' ' ' GLY . 18.5 m -101.85 -54.93 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 1.019 ' O ' HD13 ' 1' ' 6' ' ' LEU . . . -73.21 9.4 7.2 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 1.019 HD13 ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -138.05 11.36 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.789 . . . . 0.0 109.297 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.478 ' N ' ' HB3' ' 1' ' 10' ' ' GLN . 0.3 OUTLIER -77.83 -168.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.554 1.158 . . . . 0.0 109.993 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.817 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -69.4 -23.63 63.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.538 HD22 ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -89.88 -2.64 58.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.65 ' HG3' ' N ' ' 1' ' 11' ' ' CYS . 0.0 OUTLIER -66.19 -37.73 86.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.562 1.164 . . . . 0.0 110.345 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.655 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 15.1 t -68.75 -4.95 17.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.262 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.538 ' HB3' HD22 ' 1' ' 9' ' ' ASN . . . -97.61 17.11 18.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.97 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -50.86 164.9 0.4 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.377 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.97 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.96 29.38 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 42.73 55.65 4.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.44 30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -158.55 17.92 0.21 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 20.5 mtt180 -86.79 173.4 9.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.529 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.9 t -103.59 19.82 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.529 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.0 OUTLIER 30.81 90.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.152 . . . . 0.0 109.28 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.33 -34.89 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 108.273 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.46 55.31 30.38 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.524 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -89.07 142.35 30.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.471 0.748 . . . . 0.0 110.952 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -10.27 21.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.81 37.63 4.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.573 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.1 p -56.08 118.25 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.459 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.21 153.25 7.57 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.413 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 59.03 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.052 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.7 OUTLIER 178.69 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 0.0 109.237 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.0 OUTLIER -97.16 -46.26 6.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.0 m -63.82 -57.1 10.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -61.55 -7.1 2.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.1 t30 -106.09 -25.64 11.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.536 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.15 -26.04 22.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.231 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.81 21.92 2.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.536 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 81.8 m -120.03 173.91 6.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -121.27 122.65 40.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 0.0 108.355 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 74.0 t80 -90.46 121.64 32.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.6 1.187 . . . . 0.0 110.943 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 14.6 t70 -90.09 -84.07 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.27 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 89.16 -18.33 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.925 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp85 -60.44 -44.96 95.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.864 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -120.76 113.58 33.1 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.21 18.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.534 1.807 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.53 -4.21 64.15 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.99 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -120.01 -179.27 0.68 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 0.768 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.596 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 117.66 4.98 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.581 1.832 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.517 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.24 27.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.704 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 44.3 t -170.98 107.83 0.28 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -142.27 -169.84 3.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.5 69.19 22.52 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.622 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.6 Cg_endo -74.92 -98.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.817 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.53 35.13 1.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.427 1.079 . . . . 0.0 109.272 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.586 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 46.5 mm-40 -57.58 -18.89 22.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.436 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.51 -23.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -47.72 -73.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -117.29 26.75 9.54 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.517 1.136 . . . . 0.0 110.358 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.492 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 45.5 t -105.58 -74.43 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.456 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 1.5 t -68.6 -30.12 68.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.387 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' 1' ' 58' ' ' THR . 20.4 t80 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.27 68.35 8.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.276 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.49 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 17.0 m-85 -90.87 81.7 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.52 -51.1 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.491 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -71.97 5.43 13.09 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.583 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -140.35 14.66 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.765 . . . . 0.0 109.329 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 2.5 t -107.92 176.92 4.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.762 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -64.14 90.71 0.07 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 3.2 t-20 162.7 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.572 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.8 -32.23 72.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.664 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 43.5 t -63.96 -10.52 21.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -99.47 14.23 30.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.558 HG13 ' HD2' ' 2' ' 14' ' ' PRO . 0.8 OUTLIER -38.29 159.23 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.558 ' HD2' HG13 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 30.71 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.9 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 49.94 65.56 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.245 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.99 41.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.493 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 11.1 t70 -160.8 14.74 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.555 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 14.7 mtt180 -90.58 176.27 6.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.54 HG12 ' O ' ' 2' ' 19' ' ' VAL . 39.1 t -107.43 19.11 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 32.18 88.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -52.64 -33.59 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.304 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.33 56.35 23.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 111.071 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.416 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -89.81 141.87 28.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 111.033 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.96 -12.38 21.59 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -123.1 32.72 5.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.525 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.688 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -51.25 118.9 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.578 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -170.04 155.09 5.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.555 1.159 . . . . 0.0 110.397 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttt -173.06 -24.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.578 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -98.99 -44.76 6.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.386 1.054 . . . . 0.0 110.253 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 13.3 m -65.02 -53.59 43.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -65.69 -4.99 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.26 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 21.9 t30 -105.59 -27.9 11.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.475 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.99 -31.19 19.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.495 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 127.54 24.49 1.24 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.9 m -121.59 168.61 11.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 5.6 t -115.02 125.67 53.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 70.4 t80 -92.58 121.22 33.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.09 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.5 t70 -88.6 -83.26 0.22 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.11 -14.41 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -64.56 -45.73 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.9 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.41 113.94 31.98 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -4.92 16.13 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.466 1.772 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.44 -4.57 62.35 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.637 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.75 -179.25 0.69 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.556 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.14 27.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 107.997 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.688 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 46.0 t -169.89 104.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 108.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.688 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.87 -167.91 2.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.539 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.19 62.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.67 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -95.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.523 1.802 . . . . 0.0 111.068 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.762 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -99.66 41.47 1.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 21.5 mm100 -49.75 -19.08 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.669 ' HA ' HG22 ' 2' ' 58' ' ' THR . 23.0 mt-10 -41.98 -24.54 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.414 1.071 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.13 -69.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -138.54 22.49 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -99.09 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 108.279 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.669 HG22 ' HA ' ' 2' ' 54' ' ' GLU . 10.1 t -61.31 -38.32 86.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.521 ' HA ' HD12 ' 1' ' 6' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.79 67.36 8.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -90.57 75.81 6.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 2.6 p -124.05 -51.52 2.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.31 -2.09 31.6 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.438 1.086 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.8 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -133.87 10.2 3.92 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.455 0.738 . . . . 0.0 109.243 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 80.6 p -61.74 -171.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.744 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -71.22 -9.9 58.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.519 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -94.91 -11.31 28.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.561 ' CD ' ' HA ' ' 1' ' 6' ' ' LEU . 1.5 pt20 -59.93 -42.3 93.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.359 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.69 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 12.3 t -61.77 -9.56 6.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.15 . . . . 0.0 108.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -100.73 17.67 21.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.888 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -47.03 166.85 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.888 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 27.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.0 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 47.87 64.97 1.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.66 36.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.254 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.409 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 7.6 t70 -160.65 16.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.5 mtt180 -89.52 170.67 10.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.583 HG12 ' O ' ' 1' ' 19' ' ' VAL . 51.3 t -101.18 19.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 31.03 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.48 -35.65 60.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 108.299 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.14 54.82 34.48 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.404 1.065 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -89.32 141.36 28.96 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -11.79 21.52 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.474 1.776 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -123.68 34.3 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.686 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -52.88 118.54 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.92 154.24 7.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 57.18 4.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.0 ttpt -179.42 -25.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -97.66 -45.39 6.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 6.6 m -64.44 -55.66 19.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.59 1.181 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -63.52 -5.55 3.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.258 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 21.5 t30 -106.01 -27.9 10.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.66 -30.19 23.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.45 24.04 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 0.0 110.95 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 85.0 m -121.59 175.15 6.37 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.533 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.9 t -121.18 123.53 42.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 108.271 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.587 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.9 t80 -91.0 121.77 33.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.085 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.8 t70 -90.03 -84.52 0.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.54 -18.28 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.943 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -60.8 -45.22 95.25 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.873 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -120.7 111.85 34.26 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -3.34 13.78 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.999 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.63 -5.09 60.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.0 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.2 m -120.61 -177.58 0.5 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.606 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 117.07 4.78 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.443 1.759 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.6 27.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.686 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.8 t -170.79 106.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 108.308 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.36 -169.62 2.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.3 OUTLIER -121.87 69.5 26.69 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.633 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.1 Cg_endo -75.03 -100.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.467 1.772 . . . . 0.0 110.999 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.744 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -92.46 35.02 1.02 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.563 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 42.1 mm-40 -54.56 -18.45 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.427 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 1.9 pt-20 -42.82 -25.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.87 -70.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.1 mm-40 -129.08 25.72 5.53 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.409 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 3.6 t -105.28 -58.64 1.87 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.45 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.1 t -63.69 -42.91 97.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.4 t80 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . 0.42 ' HG2' ' CE1' ' 2' ' 3' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.237 -0.282 . . . . 0.0 110.237 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -85.88 69.06 10.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.772 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 4.0 m-85 -90.38 75.94 6.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.7 -51.31 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.373 1.045 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.442 ' O ' ' CG ' ' 2' ' 10' ' ' GLN . . . -70.84 -0.12 31.84 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.79 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -130.03 10.53 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 0.753 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.468 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.1 OUTLIER -106.88 -164.92 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.021 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.723 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -59.14 83.75 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 167.73 -30.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.494 ' O ' HG13 ' 2' ' 13' ' ' VAL . 15.5 tt0 -64.54 -31.44 72.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.693 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 45.0 t -64.12 -7.12 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.331 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.47 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.09 20.42 18.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.564 1.165 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.542 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -42.19 167.66 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.699 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -74.99 3.46 5.59 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.947 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 83.91 49.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.51 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 173.77 42.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.542 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 44.4 t0 -150.47 11.33 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.1 mtt180 -91.97 178.38 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.523 1.139 . . . . 0.0 110.224 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.0 t -108.14 18.97 6.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.63 84.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.568 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -47.47 -36.01 9.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 108.256 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.59 58.21 13.07 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.154 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.629 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.73 139.99 26.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 0.756 . . . . 0.0 111.004 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -2.66 12.83 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.515 1.797 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.8 t-80 -126.21 13.58 7.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.621 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.79 126.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.624 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -167.81 153.14 6.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.129 . . . . 0.0 110.378 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.566 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.97 47.61 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.43 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 3.1 tttp -178.54 -17.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.624 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -98.67 -45.08 6.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 110.3 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 58.9 m -55.34 -55.03 36.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 108.252 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.27 -12.78 14.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.402 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 19.7 t-20 -92.84 -31.46 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.265 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.629 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.6 -25.95 28.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.23 24.81 2.87 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.464 1.102 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.9 m -121.2 169.6 10.39 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.502 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.3 t -113.32 133.18 55.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 108.217 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.532 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 37.9 t80 -96.79 117.34 30.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.566 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -76.07 -83.28 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 86.62 -23.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.994 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -65.09 -44.41 88.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.947 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.66 106.78 39.3 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.443 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.5 Cg_endo -74.97 -2.03 11.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.043 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.23 -5.96 65.16 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.471 1.107 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.89 -176.53 0.42 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.764 . . . . 0.0 109.344 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 118.63 5.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.498 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.59 30.01 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.667 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 8.7 t -166.75 106.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.412 1.07 . . . . 0.0 108.303 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -145.4 -169.53 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.33 69.9 52.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.671 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.97 -94.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.489 1.784 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -99.32 37.34 1.58 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.399 1.062 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.591 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.5 mm100 -51.75 -19.51 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.5 pt-20 -42.54 -23.85 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.326 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.08 -68.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -138.88 21.3 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.2 OUTLIER -99.31 -54.83 2.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 108.264 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.446 HG22 ' O ' ' 2' ' 54' ' ' GLU . 7.0 t -60.29 -37.27 80.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.449 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' 1' ' 50' ' ' LYS . 17.3 m-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' 1' ' 3' ' ' TYR . 2.6 mt-10 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 1.3 mp0 -68.07 68.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' 1' ' 1' ' ' GLU . 2.7 m-85 -52.66 91.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.959 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 2.4 m -104.09 -47.98 10.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.929 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -72.42 2.22 31.02 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.929 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -130.69 7.65 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 0.801 . . . . 0.0 109.307 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.475 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 0.4 OUTLIER -106.98 -171.03 1.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.645 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -55.76 87.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.475 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 164.84 -29.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.6 ' O ' HG13 ' 1' ' 13' ' ' VAL . 12.5 tt0 -66.96 -31.71 72.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.717 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 47.8 t -63.42 -5.82 4.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 108.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.07 20.03 18.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.717 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.1 OUTLIER -44.41 168.0 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.703 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 4.34 4.84 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.82 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 84.83 56.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.501 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 169.32 42.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.378 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.717 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 35.6 t70 -151.36 11.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.63 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 5.5 mtt180 -92.04 170.86 9.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.3 t -104.16 19.49 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.71 88.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.284 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.52 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -50.56 -37.35 39.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.15 60.75 5.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.585 ' CD1' ' HD2' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.46 145.64 31.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 111.043 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 -9.31 20.83 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -125.19 23.62 7.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.607 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -47.92 125.94 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.529 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.22 155.33 8.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.578 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.98 54.75 3.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.469 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.26 -20.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.529 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -100.14 -44.56 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.0 m -56.6 -51.77 67.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -69.42 -2.32 10.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.429 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 49.3 t-20 -105.14 -27.46 11.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.607 1.192 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.585 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.5 -23.88 27.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.45 26.69 2.35 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.145 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 39.5 m -119.88 -177.34 3.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.547 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.7 t -128.88 124.71 35.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.294 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.578 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 78.5 t80 -88.28 121.42 30.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.511 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.0 t70 -89.76 -84.41 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.57 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.0 -15.34 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.935 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 mtp85 -61.32 -46.47 90.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 110.219 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.82 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.54 115.69 32.33 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.526 1.142 . . . . 0.0 109.338 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -6.68 18.32 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.53 1.805 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -4.72 61.39 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.641 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -118.63 -179.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.757 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.544 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.02 117.21 4.82 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 110.968 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.93 28.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 107.987 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.568 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.5 t -171.74 111.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.645 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -149.11 -170.56 3.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.08 14.05 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.645 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.5 Cg_endo -74.92 -97.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.717 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.7 OUTLIER -92.18 31.55 1.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.458 1.099 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.9 mm100 -53.92 -20.92 6.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.91 -26.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.67 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.447 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 3.5 mt-10 -124.38 24.62 7.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.509 ' HA ' ' HZ3' ' 2' ' 50' ' ' LYS . 3.2 t -105.52 -54.33 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 108.265 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.458 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.8 t -82.31 -29.93 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.9 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.77 59.56 4.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -90.81 83.99 5.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.45 -54.29 2.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.449 ' C ' HD23 ' 2' ' 6' ' ' LEU . . . -70.1 -1.5 34.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.508 ' HA ' ' NE2' ' 2' ' 10' ' ' GLN . 0.1 OUTLIER -130.65 11.75 5.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 0.726 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.93 -156.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.912 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -66.37 87.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 164.11 -29.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.508 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 14.0 tt0 -64.87 -31.77 73.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 41.4 t -70.69 -0.9 9.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -120.62 9.86 10.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.901 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.46 168.04 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.901 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.6 Cg_endo -74.85 27.96 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.975 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 49.75 67.21 0.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.33 38.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.398 1.061 . . . . 0.0 109.335 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.51 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 21.6 t70 -160.58 15.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 11.7 mtt180 -90.95 171.6 9.17 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 110.28 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.2 t -98.2 14.96 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 34.51 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -51.37 -36.84 45.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.417 1.073 . . . . 0.0 108.302 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.25 59.63 8.69 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.429 1.081 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.647 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.18 139.9 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.61 0.829 . . . . 0.0 110.987 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -2.64 12.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.528 ' CD2' ' OE2' ' 2' ' 30' ' ' GLU . 0.1 OUTLIER -125.6 13.37 8.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.64 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.622 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.97 126.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.61 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.75 155.23 6.76 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.162 . . . . 0.0 110.43 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.498 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.99 47.87 1.85 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.0 OUTLIER -179.09 -15.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.61 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mt-10 -100.98 -45.64 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.272 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.4 m -55.68 -55.25 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.343 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.9 -12.43 17.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -93.46 -30.18 15.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.24 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.647 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.89 -25.15 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.334 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.99 24.2 3.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.594 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.6 m -121.71 171.96 8.48 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.548 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.0 t -117.15 129.2 55.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 108.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 67.8 t80 -93.41 121.13 34.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 21.9 t70 -88.49 -83.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 89.06 -17.84 0.24 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -62.1 -43.07 99.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.963 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -122.09 109.31 33.65 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.434 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.4 Cg_endo -74.97 -4.96 16.19 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.06 -6.68 64.82 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.975 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.0 -176.92 0.45 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.03 118.28 5.2 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -93.93 29.47 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 108.028 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.622 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 12.5 t -168.79 105.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.319 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.639 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.53 -167.77 2.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.01 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -120.74 69.77 17.28 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.272 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.639 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.95 -97.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.912 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -95.2 34.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.9 mm100 -49.84 -20.94 0.98 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.4 pt-20 -37.5 -27.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.522 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.3 -59.65 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -142.37 15.48 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.5 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.71 -70.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 108.28 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.428 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 13.9 t -54.08 -45.74 71.84 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.507 1.13 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.574 ' HB3' ' CE1' ' 1' ' 3' ' ' TYR . 1.6 tp10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -90.42 66.66 6.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.63 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 22.3 m-30 -85.2 74.31 10.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.419 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 46.4 t -125.92 -56.44 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.453 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -68.77 3.66 6.28 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.803 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -146.77 24.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.793 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.458 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 1.6 t -105.05 155.82 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.754 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -59.23 85.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 175.3 -32.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' 1' ' 5' ' ' GLY . 19.5 tt0 -59.5 -33.43 71.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.683 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 41.1 t -64.41 -8.31 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -104.61 13.6 31.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.891 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -39.98 162.33 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.163 . . . . 0.0 109.344 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.891 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -74.93 29.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.497 1.788 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.898 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 49.47 72.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 163.67 51.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.448 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 37.0 t0 -166.58 -25.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.632 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 14.4 mtt180 -49.89 -179.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 HG12 ' O ' ' 1' ' 19' ' ' VAL . 21.7 t -114.97 19.75 7.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 33.38 87.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.563 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.1 -35.84 17.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.538 1.148 . . . . 0.0 108.315 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.45 60.69 7.03 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.642 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.38 140.42 24.2 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.447 0.734 . . . . 0.0 111.007 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -6.75 18.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.521 1.8 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -122.04 13.17 10.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.581 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.579 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -36.83 128.15 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.694 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.05 153.27 7.76 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 110.405 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.05 51.94 2.94 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.463 1.77 . . . . 0.0 111.059 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.23 -20.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.694 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -96.41 -44.55 7.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.579 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.2 m -55.99 -50.93 69.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 108.319 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -69.56 -1.63 9.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.5 t-20 -105.3 -29.05 10.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.642 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.22 -24.73 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.235 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.43 25.37 2.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 33.8 m -119.93 179.79 4.15 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.3 t -125.29 124.0 40.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 108.289 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 61.4 t80 -89.39 122.03 32.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.061 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.3 t70 -90.34 -83.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.236 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.581 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -16.83 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 109.976 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -58.56 -49.22 78.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.806 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.5 OUTLIER -119.67 124.25 28.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -13.83 21.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.97 -10.07 65.06 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.168 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.916 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -107.11 170.26 5.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.484 0.755 . . . . 0.0 109.329 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 112.9 3.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.422 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.48 29.59 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 107.991 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.563 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 13.9 t -170.23 103.05 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -142.87 -171.8 3.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.611 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 70.71 24.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -98.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.578 1.83 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -93.55 34.1 1.21 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.611 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 47.7 mm-40 -55.05 -23.32 19.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -40.6 -26.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.98 -71.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -130.44 27.41 5.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.9 t -106.18 -57.91 1.99 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 108.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -71.78 -49.25 40.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.429 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -90.08 74.64 7.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.471 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 1.7 m-85 -89.96 77.86 6.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 95.1 t -118.31 -47.92 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.844 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -72.04 3.11 22.76 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.844 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -131.85 9.31 4.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.322 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.26 -162.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.739 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -63.34 84.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 169.09 -31.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.443 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 13.8 tt0 -62.95 -31.36 72.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.767 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 39.7 t -64.45 -7.78 11.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 108.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -106.83 11.14 30.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.693 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.7 OUTLIER -40.33 160.59 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.539 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.5 Cg_endo -74.99 29.82 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.911 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 51.48 67.8 0.9 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.519 1.137 . . . . 0.0 109.248 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.2 OUTLIER 168.46 38.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.262 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.693 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 11.5 t70 -159.47 13.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.564 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.7 mtt180 -89.97 -179.29 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.516 HG12 ' O ' ' 2' ' 19' ' ' VAL . 26.1 t -112.49 20.54 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.88 88.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.527 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.2 -34.45 57.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 108.294 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.95 56.45 23.95 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.417 1.073 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.412 ' CE1' ' NE ' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.72 142.14 28.98 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.05 -11.36 21.38 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -123.42 30.29 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.564 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -49.31 116.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.59 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.91 154.79 8.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.527 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 50.27 2.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.937 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.3 OUTLIER -172.8 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.59 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -99.17 -45.19 5.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 110.208 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 15.1 m -62.81 -55.94 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.342 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.81 -6.66 6.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -101.87 -29.42 11.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.26 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.448 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -31.65 19.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.157 . . . . 0.0 110.318 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.517 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 128.5 24.04 1.17 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.556 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 75.6 m -120.54 166.77 13.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.486 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 4.1 t -113.82 128.64 56.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 108.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.527 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 45.6 t80 -93.82 120.58 34.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.581 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -82.7 -83.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.581 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.0 OUTLIER 85.5 -22.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mtp85 -65.41 -42.61 92.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.911 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -120.88 106.87 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.43 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.5 Cg_endo -75.02 -3.5 14.02 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.488 1.783 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.24 -6.37 64.77 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.447 1.092 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.809 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.63 -175.84 0.38 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.316 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.601 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.09 118.91 5.41 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.499 1.789 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.539 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.13 27.48 1.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.013 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.69 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 28.9 t -168.23 104.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 108.28 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.679 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -140.28 -168.16 2.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.575 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.86 68.51 62.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.65 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.98 -95.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.473 1.775 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.767 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -98.28 38.57 1.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.575 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.1 mm100 -47.22 -20.51 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.13 . . . . 0.0 110.307 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.5 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -37.38 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.31 -70.67 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -131.69 17.95 4.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.07 . . . . 0.0 110.323 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.55 -77.27 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.278 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.5 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.0 t -40.35 -41.37 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.425 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 110.971 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -90.03 -128.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -91.95 62.47 4.28 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.29 -54.24 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.985 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -68.47 0.61 12.06 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 111.013 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.985 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -140.65 26.22 2.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 0.712 . . . . 0.0 109.265 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.463 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 58.3 p -102.38 165.9 10.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.074 . . . . 0.0 109.985 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.723 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -69.22 -5.34 22.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.63 -11.45 34.19 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.526 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -65.29 -39.95 93.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.689 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 51.2 t -74.56 0.45 14.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 108.254 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.415 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -106.28 9.25 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.179 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.839 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.5 OUTLIER -40.07 159.65 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.839 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.1 Cg_endo -75.09 30.33 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.038 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 48.45 73.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 163.07 51.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.469 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 10.4 t70 -167.15 -25.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.0 mtt180 -47.48 176.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 5.0 t -110.63 20.95 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.57 91.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 109.345 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.23 -34.89 59.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 108.332 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.21 55.24 31.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 0.0 111.089 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.38 140.77 27.05 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.03 -6.48 18.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.483 1.781 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.19 43.35 3.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.624 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.7 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.4 p -61.15 120.45 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.487 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.04 153.04 7.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.448 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.59 4.6 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.46 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER 179.35 -26.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -96.6 -46.11 6.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.203 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.515 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 2.3 m -63.59 -56.29 17.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 108.276 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.49 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -62.4 -7.11 3.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.7 t30 -105.24 -26.31 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.53 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -86.7 -25.69 24.65 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.463 1.102 . . . . 0.0 110.247 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.515 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.14 22.51 2.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.532 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 78.7 m -119.44 177.9 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -124.63 124.68 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.257 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 57.3 t80 -90.37 119.91 31.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.13 -83.9 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.572 1.17 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 85.63 -22.96 0.17 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.95 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -65.87 -43.15 89.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 1.038 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.1 mt -121.34 107.74 36.64 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -4.77 15.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.477 1.778 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.49 -6.92 67.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 110.976 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.882 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -120.84 -175.13 0.33 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.623 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 122.98 7.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.458 1.767 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.501 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -93.97 25.48 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 108.039 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.7 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 43.6 t -167.7 104.51 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 108.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.643 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.1 OUTLIER -141.04 -170.07 2.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.648 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.66 69.59 45.04 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.364 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.623 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -74.99 -97.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -91.99 32.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.648 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.3 mm100 -52.66 -19.89 2.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.456 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.75 -26.27 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.462 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.4 -82.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.31 23.97 11.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.249 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -107.33 -54.81 2.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 108.32 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.5 ' HA ' ' CD ' ' 2' ' 53' ' ' GLN . 0.9 OUTLIER -90.11 -13.05 36.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.392 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 1' ' 58' ' ' THR . 5.8 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -89.88 68.96 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -90.98 89.61 7.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.499 HG13 ' H ' ' 2' ' 5' ' ' GLY . 1.4 p -134.51 -56.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.499 ' H ' HG13 ' 2' ' 4' ' ' VAL . . . -67.35 2.28 5.77 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.147 . . . . 0.0 110.999 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.517 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -150.42 23.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 0.805 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.449 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -107.89 149.26 28.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.997 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.734 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -60.65 83.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.3 OUTLIER 172.15 -30.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.633 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -59.8 -32.27 70.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.638 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 48.8 t -70.2 -7.3 40.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 108.317 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -101.8 8.36 41.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.9 OUTLIER -38.49 157.47 0.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' 2' ' 13' ' ' VAL . 18.6 Cg_endo -75.01 30.01 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.453 1.765 . . . . 0.0 110.992 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.058 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 50.63 65.67 1.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 167.37 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.523 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 11.8 t70 -158.88 13.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.601 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.3 mtt180 -91.5 -178.63 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.503 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.9 t -111.34 19.65 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 109.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 32.62 87.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.62 -33.28 32.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 108.283 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.55 61.97 1.72 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.457 1.098 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.606 ' CE2' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.91 148.02 37.22 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 0.775 . . . . 0.0 110.96 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -5.74 17.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.24 15.51 8.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.599 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.703 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -42.77 121.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.752 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -163.95 158.51 16.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.415 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -74.97 48.16 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.426 1.751 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -179.88 -22.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.752 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -93.49 -43.36 8.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.8 m -55.43 -57.54 11.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -60.09 -15.09 20.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.517 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 6.9 t30 -85.07 -36.37 21.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.606 ' CD ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -80.82 -24.56 38.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.6 19.16 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.2 m -107.31 178.39 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -124.63 125.25 43.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.466 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 56.6 t80 -88.83 122.62 32.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -87.14 -82.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 84.21 -23.49 0.18 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.14 . . . . 0.0 110.002 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -62.78 -41.43 99.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 1.058 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.41 107.51 34.45 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.442 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.87 14.56 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.534 1.807 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.65 -7.68 64.59 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.834 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -121.1 -175.45 0.35 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.45 0.735 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.61 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.99 117.5 4.93 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.545 1.813 . . . . 0.0 111.036 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.1 28.45 1.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.703 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 19.5 t -171.27 108.52 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.664 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.0 -169.16 2.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.054 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.57 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.55 67.96 29.96 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.98 -96.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.734 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -102.2 41.76 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.624 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -41.87 -23.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.537 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -43.12 -23.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.537 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.07 -62.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -149.12 19.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -69.29 0.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.452 HG23 HD12 ' 1' ' 6' ' ' LEU . 1.1 t -51.65 -43.32 62.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 16.7 mt-10 -74.57 73.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.703 ' HA ' HD11 ' 1' ' 6' ' ' LEU . 17.7 m-85 -56.29 82.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.525 HG23 ' N ' ' 1' ' 5' ' ' GLY . 21.1 m -128.08 -52.36 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.525 ' N ' HG23 ' 1' ' 4' ' ' VAL . . . -69.6 -1.43 30.19 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' 1' ' 3' ' ' TYR . 0.2 OUTLIER -127.84 -0.81 6.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.327 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -110.51 179.04 4.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 110.045 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.728 ' O ' ' CB ' ' 1' ' 9' ' ' ASN . . . -38.28 134.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.573 1.171 . . . . 0.0 109.251 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.728 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.7 OUTLIER 105.39 -32.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.678 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.9 OUTLIER -57.09 -40.85 77.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.27 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 42.1 t -59.75 -10.43 3.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 108.255 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -98.29 17.35 18.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.919 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -48.3 166.73 0.21 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.919 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -75.03 28.45 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.028 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 47.07 66.75 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.575 1.172 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.88 37.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -161.47 16.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.591 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 13.8 mtt180 -90.15 168.51 11.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -96.3 17.03 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.84 88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.367 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HE3' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -51.81 -36.51 48.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.322 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.88 60.77 4.75 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.615 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.47 145.56 31.58 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.477 0.751 . . . . 0.0 111.015 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -11.06 21.45 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -118.28 10.8 12.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.586 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.581 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.3 p -36.05 126.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.683 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.27 154.75 9.85 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.427 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -75.0 53.43 3.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.465 1.771 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.1 -22.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.683 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -95.45 -43.48 7.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.564 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.2 m -56.03 -53.3 58.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.251 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -66.17 -5.64 10.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.1 t-20 -99.81 -30.85 11.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.236 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.615 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.88 -22.96 33.84 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.42 25.88 3.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 24.2 m -118.51 -179.38 3.77 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 2.6 t -126.72 121.76 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 108.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 69.2 t80 -87.96 121.15 30.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.538 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.8 t70 -89.82 -84.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.613 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.5 OUTLIER 89.69 -16.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.998 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -62.35 -42.54 99.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.939 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.6 109.54 34.39 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.0 Cg_endo -75.02 -4.21 15.07 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.484 1.781 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.38 -5.96 61.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.028 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.93 -176.55 0.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 116.31 4.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.515 1.797 . . . . 0.0 111.044 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.428 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 29.43 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 107.986 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.8 t -171.25 110.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 108.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.591 ' CB ' ' HB3' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.25 -169.66 3.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.19 71.82 17.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.678 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.2 Cg_endo -75.01 -102.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.476 1.777 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -91.69 34.86 0.97 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.552 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.3 mm-40 -52.19 -19.39 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.1 OUTLIER -40.71 -26.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.1 -73.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.426 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 6.5 mt-10 -124.41 25.63 7.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.572 1.17 . . . . 0.0 110.28 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.5 t -103.95 -64.18 1.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 108.288 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.452 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.7 OUTLIER -61.17 -28.75 69.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' 2' ' 4' ' ' VAL . 1.5 tp10 -88.42 -132.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.689 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 7.2 p90 -66.69 62.45 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 70.8 t -122.67 -50.9 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.434 ' O ' ' OE1' ' 2' ' 10' ' ' GLN . . . -71.63 1.24 30.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.689 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -130.71 8.04 4.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.478 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 1.2 p -106.95 -160.78 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.938 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.759 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -59.37 83.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 168.52 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 109.217 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.468 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 21.7 tt0 -65.52 -30.81 71.62 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.526 1.141 . . . . 0.0 110.29 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.831 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 44.1 t -67.99 -3.24 9.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.291 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -115.42 12.11 16.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.908 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.57 166.84 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.36 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.908 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -75.02 27.49 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.536 1.808 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.884 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 50.22 69.92 0.56 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 169.86 39.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.514 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 19.0 t70 -160.75 13.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 10.0 mtt180 -91.36 172.63 8.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -100.24 16.37 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 34.05 83.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.546 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.69 -34.52 18.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.76 61.53 4.24 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.088 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.616 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.58 144.25 29.27 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.583 0.814 . . . . 0.0 110.941 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -8.09 19.81 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.454 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.9 m80 -120.9 10.76 10.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.632 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.773 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -35.81 123.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.1 154.35 8.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.395 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.499 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.11 2.17 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.404 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 14.7 tttt -178.09 -18.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.589 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -100.06 -44.67 5.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.4 m -55.78 -55.27 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 108.263 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.01 -12.57 19.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -94.09 -28.14 15.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.616 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.78 -25.15 23.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.35 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 118.26 24.27 3.28 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 47.9 m -121.87 170.22 10.0 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.513 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -116.17 128.57 55.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 51.0 t80 -96.24 118.32 32.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.512 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.2 t70 -84.77 -80.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.512 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.85 -15.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.061 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -66.81 -40.66 88.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.884 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.2 mt -121.89 108.18 35.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.01 -3.9 14.61 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.22 -7.19 62.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.841 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.08 -177.29 0.47 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.51 28.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 107.986 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.773 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.7 t -169.68 107.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.66 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -146.6 -168.32 2.99 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.545 1.153 . . . . 0.0 110.995 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.547 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 70.57 21.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.66 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -95.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.578 1.831 . . . . 0.0 111.04 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.831 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -99.38 40.99 1.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.212 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.547 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 29.5 mm-40 -56.37 -13.27 2.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -51.6 -17.84 0.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.563 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -33.82 -67.81 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' 2' ' 59' ' ' PHE . 34.9 mt-10 -138.76 11.4 2.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 1.1 t -89.34 -61.17 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 108.409 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.472 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 4.9 t -61.34 -25.66 67.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.563 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.05 -123.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.259 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.44 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 8.6 p90 -91.6 66.32 5.3 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.419 HG13 ' N ' ' 1' ' 5' ' ' GLY . 11.9 p -131.17 -47.84 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 109.304 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.486 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -69.49 -1.65 30.52 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.514 ' C ' HD22 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -136.17 17.89 3.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 0.742 . . . . 0.0 109.326 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.494 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 8.4 t -106.83 153.47 22.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -65.05 71.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -167.71 -31.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.543 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -58.31 -34.56 70.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.776 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 41.4 t -65.02 -7.62 12.63 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.475 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -109.37 16.42 22.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.862 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.01 165.23 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.862 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.02 28.32 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.811 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 50.48 70.81 0.47 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.275 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.09 51.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.52 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 20.6 t70 -165.54 -25.68 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.1 mtt180 -46.09 174.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.663 HG12 ' O ' ' 1' ' 19' ' ' VAL . 98.0 t -110.28 19.04 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 34.13 92.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.459 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -55.77 -34.53 65.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.356 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.0 55.77 28.78 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.554 1.159 . . . . 0.0 111.073 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.61 142.24 27.79 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 111.006 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.98 -9.95 21.03 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.482 1.78 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -127.92 40.52 3.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.569 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.724 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.1 p -58.07 118.72 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.514 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -169.35 154.61 5.82 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.444 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.98 57.92 4.71 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.1 ttpm? -179.2 -26.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.514 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -98.18 -46.49 5.82 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -64.32 -55.14 23.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -63.87 -5.16 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.2 t30 -106.7 -27.49 10.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.425 1.078 . . . . 0.0 109.358 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.532 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.86 -30.34 22.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 128.24 22.91 1.31 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 75.3 m -120.76 174.57 6.51 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.508 ' HB2' ' CD ' ' 1' ' 51' ' ' PRO . 3.1 t -120.9 125.58 47.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.41 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 75.8 t80 -91.12 120.72 32.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.998 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.523 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.8 t70 -87.21 -84.75 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.553 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.63 -16.33 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.003 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -62.06 -46.62 88.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 110.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.811 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -120.74 116.86 31.47 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.22 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -8.56 20.23 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.97 -3.64 65.59 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.66 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -119.02 -179.74 0.73 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.421 0.718 . . . . 0.0 109.251 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.548 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.97 119.63 5.74 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.769 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.474 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -92.3 25.22 3.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.724 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 44.7 t -169.22 110.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 108.302 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.636 ' CD2' ' HG2' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -145.86 -169.97 3.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.58 70.38 46.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.634 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.0 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.776 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.3 OUTLIER -92.38 34.63 1.04 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.4 mm100 -50.36 -25.67 4.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.535 ' HA ' ' H ' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -35.33 -30.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.251 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.539 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.26 -64.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.186 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -115.57 8.43 15.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' HB2' ' C ' ' 1' ' 53' ' ' GLN . 0.8 OUTLIER -92.79 -90.7 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 108.256 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.535 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 1.2 t -43.88 -27.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.174 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.471 ' C ' ' O ' ' 1' ' 58' ' ' THR . 32.0 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -84.29 72.66 10.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.252 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.597 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 6.3 m-85 -90.59 90.32 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -121.31 -62.34 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.436 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -69.21 7.85 3.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' 2' ' 3' ' ' TYR . 0.4 OUTLIER -154.65 24.72 0.45 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.479 0.752 . . . . 0.0 109.312 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 0.2 OUTLIER -84.24 166.13 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.974 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.512 ' HA ' HD23 ' 2' ' 52' ' ' LEU . . . -64.71 -6.35 7.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -96.0 -15.17 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.524 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -59.32 -39.58 83.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.982 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 14.9 t -74.17 0.34 14.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 108.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.75 14.3 18.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.988 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -51.17 164.6 0.45 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.988 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 29.1 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.519 1.8 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.051 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 44.17 59.95 2.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.57 33.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -161.66 20.4 0.11 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 17.4 mtt180 -89.71 175.51 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.57 HG12 ' O ' ' 2' ' 19' ' ' VAL . 47.0 t -105.29 19.59 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 32.61 90.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 5.1 t -51.14 -36.72 42.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 108.355 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.59 84.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.409 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -83.56 138.54 41.19 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.493 0.76 . . . . 0.0 111.01 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.87 -8.43 20.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.576 1.83 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.67 24.52 9.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.569 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.683 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.8 OUTLIER -43.71 116.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.604 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.33 153.46 10.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 51.66 2.88 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.508 1.794 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.8 tttt -175.44 -23.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.604 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -98.27 -44.07 6.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.3 m -61.89 -56.5 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.561 1.163 . . . . 0.0 108.343 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.74 -5.32 5.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.2 t30 -103.57 -27.44 12.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.509 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -88.23 -31.04 19.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.76 22.48 1.44 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.0 m -120.16 172.88 7.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.448 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 0.6 OUTLIER -120.49 126.38 50.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.501 1.125 . . . . 0.0 108.277 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.642 ' HE2' HG22 ' 2' ' 26' ' ' VAL . 30.7 t80 -91.78 123.78 35.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.5 t70 -88.47 -83.28 0.22 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 87.88 -15.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.122 . . . . 0.0 110.025 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mtp180 -68.86 -41.87 77.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.377 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.828 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.73 111.81 34.25 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.28 19.06 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.049 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.57 -3.52 62.71 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 1.051 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -119.67 -179.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 0.798 . . . . 0.0 109.366 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 117.16 4.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.467 1.772 . . . . 0.0 111.073 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.683 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.89 26.16 1.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.615 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 33.0 t -171.38 102.67 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 108.334 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -136.54 -169.42 2.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.474 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 67.18 31.65 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.699 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.6 Cg_endo -74.93 -91.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.449 1.762 . . . . 0.0 111.05 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.982 HD12 ' HB2' ' 2' ' 11' ' ' CYS . 0.0 OUTLIER -105.36 26.14 9.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -48.97 -20.93 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' HA ' ' HB ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER -38.63 -27.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -36.98 -72.67 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.243 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.495 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 10.5 pt-20 -116.7 18.65 14.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.47 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -102.9 -54.94 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 108.278 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.479 ' HB ' ' HA ' ' 2' ' 54' ' ' GLU . 0.7 OUTLIER -76.47 -41.45 47.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.444 1.09 . . . . 0.0 110.391 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.411 1.069 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.537 ' O ' HG23 ' 1' ' 4' ' ' VAL . 0.3 OUTLIER -88.59 77.07 8.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 110.35 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -51.66 83.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 111.059 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.537 HG23 ' O ' ' 1' ' 2' ' ' GLU . 26.1 t -131.12 -55.77 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.172 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.34 -1.68 29.61 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.501 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -134.03 13.78 3.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 109.241 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.47 -152.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.083 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.86 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -67.3 82.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 166.76 -29.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.508 ' O ' ' HB ' ' 1' ' 13' ' ' VAL . 11.5 tt0 -61.58 -35.95 79.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 110.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.642 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 31.5 t -65.69 -4.8 6.95 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 108.311 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.426 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.92 11.28 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.645 1.215 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.917 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.45 166.41 0.12 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.917 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.09 28.22 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.516 1.798 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.03 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 45.74 62.54 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 179.28 35.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -161.16 16.86 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 13.1 mtt180 -87.93 -176.47 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.0 t -113.24 22.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.543 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 29.2 87.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.347 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.56 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -49.61 -33.6 15.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 108.306 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.15 56.7 19.97 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.586 1.179 . . . . 0.0 111.065 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -89.77 140.41 27.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 111.04 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.2 Cg_endo -74.99 -6.04 17.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.3 37.46 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.625 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -57.46 121.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.722 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -164.64 153.01 10.85 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 110.435 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.92 55.01 3.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 111.078 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 3.4 tttt 178.82 -25.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.722 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -93.88 -46.4 7.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.398 1.061 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.497 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.3 m -63.16 -58.0 8.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 108.352 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -60.06 -7.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.244 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.432 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.5 t30 -106.12 -25.95 11.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.55 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.86 -26.24 22.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.287 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 124.55 21.14 2.26 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' SG ' ' CZ ' ' 1' ' 34' ' ' ARG . 92.6 m -120.36 171.09 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.558 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.4 t -118.66 127.74 53.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 108.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 31.9 t80 -89.69 124.72 34.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 42.3 t0 -81.18 -86.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.407 1.067 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.8 t 87.84 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.45 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 11.0 mtp85 -65.26 -40.97 94.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 1.03 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -120.82 102.91 43.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.376 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.09 -3.8 14.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.24 -5.09 64.01 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.102 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.991 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.44 -175.1 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 119.98 5.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.492 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -92.57 29.9 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 108.012 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.625 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 34.6 t -168.5 102.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 108.287 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.685 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -135.72 -169.61 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 111.012 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.634 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.87 67.69 42.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.98 -98.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.549 1.816 . . . . 0.0 111.022 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.867 ' C ' HD23 ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -92.04 33.33 1.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.634 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.4 mm-40 -58.1 -26.01 62.06 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -41.44 -25.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.093 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.16 -64.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -134.5 24.56 3.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.403 1.064 . . . . 0.0 110.27 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.583 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -103.72 -55.17 2.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 108.269 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.583 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.3 t -91.85 -31.22 15.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.095 . . . . 0.0 110.385 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.431 ' C ' ' O ' ' 1' ' 58' ' ' THR . 18.8 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -82.86 -118.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.557 1.161 . . . . 0.0 110.301 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -90.9 75.52 6.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 t -130.59 -52.53 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.945 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -69.55 1.05 15.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.945 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -139.2 14.16 2.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 109.308 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.452 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 53.1 p -106.84 151.95 24.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.752 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -57.68 87.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 172.77 -31.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 7.2 tt0 -60.05 -31.2 69.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.732 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 33.7 t -65.89 -8.31 21.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 108.296 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -103.29 14.88 30.59 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.824 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.5 OUTLIER -45.57 164.84 0.18 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.824 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -75.06 28.2 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.507 1.793 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.003 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 49.97 65.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.44 ' O ' ' CE ' ' 2' ' 16' ' ' LYS . 0.0 OUTLIER 174.35 37.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.581 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 16.7 t70 -158.3 14.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 10.1 mtt180 -89.76 177.27 6.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.511 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.4 t -108.84 20.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 31.9 89.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.4 OUTLIER -52.5 -32.87 42.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 54.88 31.01 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.402 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.62 139.88 29.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.779 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -9.41 20.8 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -123.13 28.03 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.683 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -47.45 119.12 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.593 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -169.57 154.65 5.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.39 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.473 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 51.38 2.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 5.6 tttt -174.36 -23.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.593 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -98.29 -45.76 6.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.532 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 26.6 m -62.79 -56.2 19.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 1.076 . . . . 0.0 108.281 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.48 -5.84 4.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.411 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 18.4 t30 -103.99 -28.86 11.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.52 ' O ' ' CZ ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -87.13 -29.99 21.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.506 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.5 1.48 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.0 m -121.18 168.8 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.1 t -114.72 129.03 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 108.371 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.473 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.5 t80 -93.83 119.22 32.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 110.985 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.579 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -81.16 -83.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.579 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.77 -23.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.033 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -42.14 93.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 1.003 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.2 mt -120.54 106.57 39.84 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.416 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -3.29 13.71 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 110.959 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.49 -5.89 63.01 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.849 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.29 -175.76 0.37 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.349 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.6 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.08 118.76 5.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.593 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -91.38 27.68 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 108.052 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.683 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 35.1 t -168.63 104.85 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -168.4 2.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.94 69.16 57.21 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.34 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.658 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.5 Cg_endo -74.96 -94.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.496 1.787 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.752 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -98.79 40.68 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.2 mm100 -55.47 -17.13 4.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.732 ' HA ' HG22 ' 2' ' 58' ' ' THR . 23.6 mt-10 -46.01 -23.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -38.31 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -133.68 26.97 4.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.4 t -104.02 -66.43 0.95 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 108.304 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.732 HG22 ' HA ' ' 2' ' 54' ' ' GLU . 10.2 t -60.29 -38.5 83.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 1.1 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.7 mp0 -87.18 76.82 9.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.8 ' CG ' HD23 ' 1' ' 6' ' ' LEU . 1.0 OUTLIER -43.38 91.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.165 . . . . 0.0 111.052 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 1.2 m -103.23 -47.3 10.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.991 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -69.48 -1.84 31.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.533 1.146 . . . . 0.0 110.967 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.991 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -119.63 -7.4 10.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.464 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 35.0 p -111.22 -138.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.961 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.587 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -40.57 142.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.223 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 87.25 -32.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.516 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -64.9 -40.7 95.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.652 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 22.5 t -68.35 -4.36 14.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -112.5 13.94 20.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.849 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -42.38 166.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.849 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.1 Cg_endo -75.09 28.74 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.442 1.759 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.99 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 51.6 70.85 0.5 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 167.84 39.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.673 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 18.1 t0 -158.66 11.79 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 10.3 mtt180 -90.49 174.31 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.8 t -109.31 21.7 4.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.9 89.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -51.41 -33.4 30.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 108.306 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.99 57.78 15.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.448 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 143.56 29.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.964 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.0 -9.83 20.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -130.36 44.68 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.625 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.706 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -61.71 120.91 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.407 1.067 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.538 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.96 153.84 5.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.529 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.04 58.75 5.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.8 OUTLIER 179.38 -26.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.538 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -97.25 -46.31 6.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.4 m -64.04 -56.33 15.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.317 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.502 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -62.08 -7.47 4.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 25.8 t30 -105.99 -25.15 12.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -87.91 -25.65 23.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.504 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 123.34 21.74 2.45 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.617 1.198 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 77.8 m -120.52 175.24 6.09 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.563 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.54 124.95 44.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 108.269 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.9 t80 -91.04 122.46 33.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.5 t70 -90.31 -83.42 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 89.13 -16.45 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -58.17 -56.36 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.645 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -113.4 126.57 27.96 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.297 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -14.47 20.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.557 1.819 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.72 -9.14 66.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.568 1.168 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.99 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -106.8 169.51 6.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.351 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.901 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 114.47 4.03 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.489 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.03 28.58 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 108.002 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.706 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 37.9 t -170.99 103.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 108.252 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.669 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -139.42 -169.34 2.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.35 68.65 29.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.652 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.13 -97.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.407 1.74 . . . . 0.0 110.997 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.802 ' C ' HD23 ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -92.85 32.04 1.31 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.2 mm-40 -56.19 -22.4 28.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.276 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.437 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.93 -25.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.17 -73.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.463 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.2 OUTLIER -124.94 26.01 7.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.27 -57.81 2.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 108.322 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -67.34 -38.66 85.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 111.002 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -88.31 -127.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.799 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 5.3 m-85 -86.56 81.16 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -125.18 -52.59 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.422 ' O ' ' OE1' ' 2' ' 10' ' ' GLN . . . -69.84 -0.77 28.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.799 HD21 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -134.87 14.35 3.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 0.774 . . . . 0.0 109.358 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.45 -160.73 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.923 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -64.85 86.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 165.07 -28.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.514 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 12.9 tt0 -64.57 -31.3 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.4 t -71.12 -1.83 13.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -119.75 8.59 11.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 1.169 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.03 167.84 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.99 27.12 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.513 1.797 . . . . 0.0 111.033 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.928 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 51.82 68.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 173.48 37.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.578 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 8.9 t70 -158.16 13.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -91.48 171.93 8.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 16.6 t -101.06 18.17 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.46 85.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.532 ' SG ' ' HE3' ' 2' ' 50' ' ' LYS . 0.5 OUTLIER -50.94 -36.95 41.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 108.301 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 60.74 6.7 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.44 141.11 25.68 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 111.022 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -3.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -125.71 13.75 8.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.609 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.653 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.01 125.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.585 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.88 155.21 7.88 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.407 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.512 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.02 47.85 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -178.35 -15.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.585 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.9 OUTLIER -101.27 -45.35 5.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.097 . . . . 0.0 110.283 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.1 m -56.1 -54.77 41.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 108.294 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.06 -11.41 19.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.368 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.466 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 32.7 t-20 -95.59 -27.36 15.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.75 -26.05 23.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.494 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.12 25.43 2.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 53.8 m -122.41 175.69 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.559 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -120.62 128.29 52.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 108.374 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 70.8 t80 -92.78 120.74 33.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.51 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -89.46 -82.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.408 1.067 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.577 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 86.98 -15.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.087 . . . . 0.0 110.032 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -43.1 94.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.925 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.51 111.16 33.39 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -6.64 18.29 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.455 1.766 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.74 -6.18 65.86 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.928 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.4 m -121.14 -178.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.225 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.637 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.5 4.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.442 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.61 27.86 1.9 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 20.2 t -169.39 105.5 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 108.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.661 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -144.11 -168.43 2.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.427 1.079 . . . . 0.0 111.049 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -119.85 69.53 13.2 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.661 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.02 -96.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.499 1.789 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.923 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -95.51 38.14 1.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.587 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 30.1 mm100 -55.09 -17.68 4.4 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' HB2' HG21 ' 2' ' 58' ' ' THR . 11.4 pt-20 -47.35 -21.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.44 -64.02 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.36 22.35 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.4 OUTLIER -101.84 -53.02 3.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.514 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 6.0 t -62.84 -41.75 99.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 110.444 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.518 ' HB3' ' CZ ' ' 1' ' 3' ' ' TYR . 1.8 mp0 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.329 -0.249 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -86.18 45.29 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' 1' ' 1' ' ' GLU . 0.1 OUTLIER -90.26 64.98 6.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.983 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 66.6 t -126.46 -50.24 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.997 ' O ' HD13 ' 1' ' 6' ' ' LEU . . . -71.23 2.33 20.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.412 1.07 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.997 HD13 ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -136.95 9.54 3.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.258 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.488 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 1.4 t -114.28 -155.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.99 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.643 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -44.8 143.2 1.49 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.617 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.6 OUTLIER 92.47 -32.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.558 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -58.93 -36.31 74.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.66 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 41.1 t -69.67 -1.61 9.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 108.365 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -106.44 9.94 31.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.928 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.23 166.54 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.928 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.06 28.5 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.006 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 43.86 55.19 5.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.79 30.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -157.65 18.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 18.5 mtt180 -87.68 173.11 9.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 HG12 ' O ' ' 1' ' 19' ' ' VAL . 33.6 t -101.7 19.65 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.373 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.536 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 29.51 86.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -48.26 -34.77 10.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 108.361 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.86 61.21 4.48 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.39 142.92 27.47 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 111.075 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.82 18.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -124.86 18.21 8.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.548 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.576 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.17 126.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.636 HG23 ' HD2' ' 1' ' 28' ' ' PRO . 0.6 OUTLIER -164.78 154.3 11.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.636 ' HD2' HG23 ' 1' ' 27' ' ' THR . 18.1 Cg_endo -75.03 52.45 3.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.51 -21.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.599 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -95.52 -44.07 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.1 m -56.19 -52.01 65.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 108.293 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -67.44 -3.44 8.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.8 t30 -101.3 -33.45 10.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.93 -23.69 41.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.69 25.54 2.82 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.53 1.144 . . . . 0.0 111.041 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 27.4 m -117.85 -178.6 3.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.8 t -127.71 123.68 36.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 72.3 t80 -87.84 122.39 31.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 111.037 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 12.7 t70 -90.65 -85.28 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.243 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.598 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 1.1 t 90.58 -19.52 0.15 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 40.7 mtm180 -57.83 -45.93 85.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.569 1.168 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.832 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -120.62 113.6 33.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.602 1.189 . . . . 0.0 109.366 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -5.5 16.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.51 1.795 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.45 -3.91 61.1 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.006 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -120.26 -178.73 0.61 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 116.39 4.57 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.432 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.13 28.99 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 108.013 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.1 t -170.43 109.35 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 108.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.707 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -146.8 -170.86 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.063 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.57 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.84 72.16 21.74 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.66 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.07 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.645 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.3 OUTLIER -94.26 35.5 1.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.57 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -55.32 -24.68 30.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.332 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.454 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.1 OUTLIER -40.7 -26.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.22 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.45 24.11 11.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 13.8 t -101.38 -74.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 108.265 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.47 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 9.2 t -58.91 -25.32 63.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.46 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.47 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.6 t80 . . . . . 0 C--N 1.323 -0.549 0 O-C-N 124.594 1.184 . . . . 0.0 111.005 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -87.78 70.92 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.881 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 20.5 m-85 -88.54 71.32 8.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.445 HG23 ' N ' ' 2' ' 5' ' ' GLY . 26.9 m -123.7 -49.01 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.445 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -71.28 1.18 28.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.531 1.144 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.881 HD21 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -131.05 9.75 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.463 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 43.5 p -106.54 -164.09 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.057 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.714 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -59.33 84.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.251 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 167.53 -31.36 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.501 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 17.3 tt0 -64.57 -29.28 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.833 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 41.8 t -70.42 -2.25 13.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -117.81 10.99 13.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.934 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.92 167.79 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.934 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.6 Cg_endo -74.94 27.7 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 111.064 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.974 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 48.71 65.7 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.317 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.82 36.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 6.8 t70 -159.64 15.44 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.569 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 11.1 mtt180 -90.72 172.32 8.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.588 HG12 ' O ' ' 2' ' 19' ' ' VAL . 58.8 t -99.99 18.55 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.253 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 30.51 83.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.594 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.1 -35.99 12.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 108.3 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.24 58.48 12.74 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.614 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.3 OUTLIER -90.76 139.55 26.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 0.792 . . . . 0.0 111.003 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -74.99 -4.4 15.35 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.4 13.92 8.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.584 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -38.64 126.57 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.807 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.07 153.64 9.35 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.421 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.501 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.08 47.42 1.76 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -178.85 -20.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.807 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -94.41 -45.63 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.353 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.2 m -54.58 -57.54 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 108.324 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.7 m-80 -58.48 -14.79 8.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -91.66 -31.14 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.614 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.64 -24.64 27.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.468 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 119.31 20.59 3.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.437 1.085 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.619 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.1 m -121.11 164.45 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.522 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.4 t -109.55 135.82 49.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 108.314 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CD2' ' C ' ' 2' ' 27' ' ' THR . 33.8 t80 -97.92 117.42 32.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 111.043 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.578 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.25 -83.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.578 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.06 -23.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.069 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -65.87 -43.81 87.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.287 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.974 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.2 mt -119.92 106.01 42.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.412 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 -3.32 13.75 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.7 -5.77 64.44 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.539 1.15 . . . . 0.0 111.034 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.931 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.42 -176.45 0.41 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.6 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 120.15 5.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.489 1.784 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.5 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -94.4 30.03 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.594 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 5.8 t -165.92 104.59 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.619 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -145.0 -169.86 3.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.962 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' CD ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.77 70.3 27.22 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.659 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.98 -98.48 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.833 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -100.19 42.53 1.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' OE1' ' CA ' ' 2' ' 36' ' ' CYS . 17.8 mm-40 -52.65 -15.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.647 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -45.97 -21.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.493 1.12 . . . . 0.0 110.328 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.446 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -37.52 -77.31 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 109.389 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -123.47 15.0 9.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -91.82 -65.65 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 108.31 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.647 HG22 ' O ' ' 2' ' 54' ' ' GLU . 9.0 t -50.26 -36.86 33.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 110.389 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.465 ' C ' ' NE2' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.538 0 O-C-N 124.454 1.096 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.884 ' O ' HG23 ' 1' ' 4' ' ' VAL . 3.8 mt-10 -90.19 83.43 6.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.421 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 30.0 m-85 -35.34 85.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.884 HG23 ' O ' ' 1' ' 2' ' ' GLU . 85.2 t -133.5 -48.03 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.33 -1.74 37.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.775 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -130.93 6.75 4.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 0.702 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.27 -174.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.947 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -73.25 -5.25 38.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.345 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.442 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.3 OUTLIER -103.08 -3.11 26.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.533 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 11.9 pt20 -63.77 -40.4 96.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.669 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 15.6 t -61.27 -11.32 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 108.261 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.483 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -99.41 22.15 11.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.585 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -41.84 167.97 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.701 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -75.0 3.81 5.29 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.564 1.823 . . . . 0.0 111.027 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.921 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 83.95 48.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.321 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.475 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 176.98 45.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.585 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 56.9 t0 -155.32 11.93 0.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.3 mtt180 -92.69 176.13 6.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.3 t -108.7 20.12 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 33.83 91.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.78 -34.36 58.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.287 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.54 57.07 21.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.48 144.02 30.12 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.501 0.765 . . . . 0.0 111.034 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -12.49 21.48 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.431 1.753 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -127.81 44.46 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.591 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -61.31 119.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.527 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.52 154.56 7.98 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.559 1.162 . . . . 0.0 110.42 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.07 57.39 4.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.449 1.763 . . . . 0.0 110.952 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 ttpt -179.46 -25.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.527 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -97.47 -46.59 6.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.4 m -64.29 -55.53 20.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -63.25 -5.52 3.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 25.5 t30 -106.5 -27.61 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' 1' ' 30' ' ' GLU . 0.0 OUTLIER -85.54 -30.17 23.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.33 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.06 23.42 1.29 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.524 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 73.7 m -120.96 174.87 6.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.581 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.8 t -121.4 126.54 49.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 108.328 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 53.2 t80 -91.47 120.78 32.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.588 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -82.01 -82.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.48 -23.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.957 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.415 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 11.3 mtm105 -63.21 -44.24 95.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.825 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -120.26 111.21 35.37 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.97 -7.87 19.59 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.513 1.796 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.37 -2.87 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.921 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -120.71 -178.31 0.57 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.21 5.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.583 1.833 . . . . 0.0 111.004 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.496 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.26 27.61 1.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 107.966 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.701 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.7 t -169.55 107.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.648 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -142.44 -169.5 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.638 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.96 68.54 35.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.669 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.5 Cg_endo -74.98 -98.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.947 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -91.49 31.59 1.15 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.245 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.638 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 39.7 mm-40 -54.16 -19.19 4.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 2.9 pt-20 -41.52 -25.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.586 1.179 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.01 -71.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.493 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 10.5 mt-10 -124.11 21.9 8.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.48 -58.49 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.305 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.3 t -71.61 -35.15 70.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 3.7 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 111.073 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.553 ' HG3' ' CD1' ' 2' ' 3' ' ' TYR . 0.7 OUTLIER -89.37 -131.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.553 ' CD1' ' HG3' ' 2' ' 2' ' ' GLU . 1.3 m-85 -75.97 75.2 2.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.584 HG23 ' H ' ' 2' ' 5' ' ' GLY . 16.6 m -128.98 -58.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.971 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -68.41 4.29 5.15 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.459 1.099 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.971 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -150.61 28.44 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' 2' ' 52' ' ' LEU . 0.2 OUTLIER -105.72 168.83 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.761 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -72.17 -2.35 18.38 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.94 -2.57 31.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.588 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -64.63 -41.71 95.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 46.5 t -69.67 -4.29 18.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 108.332 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.78 21.16 17.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.54 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -42.92 168.03 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.657 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -75.0 3.56 5.51 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.718 ' HB1' HD12 ' 2' ' 42' ' ' ILE . . . 83.51 46.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.609 1.193 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.495 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 176.16 42.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.54 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 46.5 t0 -148.91 11.18 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.579 ' NH1' HG13 ' 2' ' 45' ' ' VAL . 5.6 mtt180 -91.74 175.22 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.48 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.1 t -107.05 18.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 33.9 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.591 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.27 -36.11 19.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 108.252 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.59 61.93 4.36 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.453 1.095 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.654 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -92.16 145.18 30.29 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.46 0.741 . . . . 0.0 110.97 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.413 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.07 -8.62 20.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -120.55 10.25 11.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.709 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -36.96 125.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.606 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.68 155.03 8.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.435 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.553 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.97 48.62 2.04 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.453 1.765 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 0.9 OUTLIER -179.02 -17.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.606 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.6 mt-10 -99.38 -44.78 6.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.52 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 61.4 m -55.4 -54.89 38.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 108.226 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.82 -11.03 15.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -94.89 -30.3 14.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.648 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -85.95 -25.72 25.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.234 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.19 24.83 2.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.426 1.079 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.637 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.7 m -120.86 169.12 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.4 t -114.17 129.95 56.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.258 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.553 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 52.8 t80 -94.97 118.46 31.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.6 t70 -84.94 -81.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 89.03 -18.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.982 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 6.9 mtp-105 -55.63 -60.91 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.718 HD12 ' HB1' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER -108.59 126.76 28.79 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.47 21.38 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.55 -8.41 64.03 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.911 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.41 169.09 7.25 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.251 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.911 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.42 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -87.18 29.48 0.84 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 107.993 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.709 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.0 t -169.99 103.5 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 108.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.666 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -144.2 -169.79 3.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 70.58 48.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.666 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.08 -93.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.761 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -101.57 37.19 1.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.364 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.559 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm100 -48.52 -21.42 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.521 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.46 -27.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.362 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.521 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.53 -62.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 10.2 mt-10 -143.48 19.27 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.467 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -94.31 -56.41 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 108.343 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.436 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.3 t -64.94 -35.39 81.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.418 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.41 ' CG ' ' H ' ' 1' ' 2' ' ' GLU . 6.6 tt0 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.41 ' H ' ' CG ' ' 1' ' 1' ' ' GLU . 19.1 tt0 -88.69 36.35 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -90.68 80.23 5.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -112.29 -50.9 5.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.878 ' O ' HD13 ' 1' ' 6' ' ' LEU . . . -71.67 4.61 14.13 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.878 HD13 ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -131.5 -1.15 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 36.3 t -108.03 -151.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.87 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -59.36 137.16 58.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.621 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER 93.69 -22.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.638 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -63.14 -31.73 72.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.677 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 44.1 t -68.95 -5.06 19.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 108.212 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -100.82 16.54 24.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.891 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -45.21 167.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.891 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 27.58 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.944 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 49.39 65.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.226 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' 1' ' 14' ' ' PRO . 0.1 OUTLIER 174.54 37.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.528 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 11.2 t70 -157.18 13.32 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.589 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 10.7 mtt180 -89.97 174.99 7.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.497 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 10.3 t -106.3 19.4 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 32.56 88.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.53 -35.21 19.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 108.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.46 60.94 4.43 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.461 1.101 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.628 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.29 143.16 27.88 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 0.785 . . . . 0.0 111.074 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.442 1.759 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -126.18 16.82 7.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.601 HG23 ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.28 127.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.662 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.03 156.34 9.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.456 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.09 52.8 3.19 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.501 1.79 . . . . 0.0 111.011 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 175.53 -20.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.662 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -96.3 -44.19 7.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' 1' ' 26' ' ' VAL . 56.1 m -55.48 -52.97 61.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 108.304 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.401 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -67.99 -2.32 7.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.257 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 14.8 t-20 -100.3 -34.76 9.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.628 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -79.89 -24.93 40.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.477 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.26 25.44 2.46 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 14.6 m -116.42 -177.31 3.15 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -128.49 122.41 31.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 108.226 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 75.0 t80 -88.59 119.83 29.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 25.3 t70 -89.8 -82.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.554 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.09 -17.38 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.063 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -61.9 -42.08 98.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.894 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.1 mt -122.56 109.25 32.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.46 13.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.36 -7.53 61.96 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.944 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.53 -176.38 0.41 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.365 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -74.84 116.39 4.58 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.451 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -91.09 28.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 108.045 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.49 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 34.6 t -169.68 108.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 108.271 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.75 -170.75 3.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.042 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.585 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.31 71.52 12.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 179.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.657 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.96 -98.2 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.87 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -92.94 36.07 1.04 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.585 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 55.0 mm-40 -57.79 -17.59 16.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.511 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.4 pt-20 -50.27 -19.41 0.79 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -35.96 -69.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.77 15.12 8.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' 1' ' 58' ' ' THR . 46.3 t -96.89 -89.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.314 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 1.3 t -32.03 -39.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' 1' ' 57' ' ' CYS . 5.3 t80 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . 0.45 ' HA ' ' CE1' ' 2' ' 3' ' ' TYR . 6.0 mt-10 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -84.69 -9.87 57.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' 2' ' 1' ' ' GLU . 6.4 p90 -92.29 84.1 5.14 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.52 HG23 ' H ' ' 2' ' 5' ' ' GLY . 13.7 m -138.09 -56.5 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.52 ' H ' HG23 ' 2' ' 4' ' ' VAL . . . -66.92 -0.04 8.24 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.435 1.084 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.666 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -151.9 24.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 0.754 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.486 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 30.1 t -108.0 146.8 31.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.957 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.725 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -57.14 85.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.486 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.3 OUTLIER 170.46 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.601 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.25 -27.88 68.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.698 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 44.5 t -73.62 -4.34 33.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -112.04 12.57 20.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.894 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -44.75 166.33 0.13 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.894 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 27.57 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.91 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 49.16 64.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 176.55 36.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.514 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 23.4 t0 -158.02 14.5 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.9 mtt180 -90.26 174.85 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.264 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 15.8 t -104.69 21.39 3.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 29.71 85.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.5 -33.43 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 108.325 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.53 59.51 5.3 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.56 1.162 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.87 142.25 27.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.982 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.43 16.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.469 1.773 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -121.43 9.82 10.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.607 1.192 . . . . 0.0 109.632 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.661 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.0 124.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.772 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.5 158.21 11.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.533 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.94 47.62 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.5 OUTLIER 178.8 -19.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.772 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -93.47 -45.47 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.503 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 68.7 m -54.04 -57.15 12.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 108.269 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.97 -12.74 12.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -87.79 -36.06 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.659 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.74 -25.33 32.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.481 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.86 22.6 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.575 1.172 . . . . 0.0 111.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.592 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.3 m -115.15 170.01 8.69 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.539 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.8 t -114.59 131.07 56.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.165 . . . . 0.0 108.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.458 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 53.0 t80 -93.24 120.37 33.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.55 -83.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER 85.14 -23.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -64.66 -42.34 95.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.91 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -120.67 106.89 39.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.11 -4.07 14.84 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.445 1.76 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -5.74 65.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.896 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.08 -175.96 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 0.0 109.296 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.602 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.422 1.748 . . . . 0.0 111.05 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.534 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.54 26.8 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.08 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.661 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 11.4 t -167.48 106.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 108.261 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.623 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.34 -169.8 3.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 70.63 66.66 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.62 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -75.0 -92.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.459 1.768 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.725 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -99.64 39.22 1.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 0.0 109.305 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.594 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 21.9 mm100 -50.6 -18.17 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.1 OUTLIER -42.65 -25.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.093 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.19 -70.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.364 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.88 17.69 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 t -93.41 -70.97 0.68 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 108.295 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.441 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 7.7 t -47.93 -38.35 16.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.688 ' N ' ' CE2' ' 1' ' 3' ' ' TYR . 19.9 mt-10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -78.77 -8.13 58.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.773 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 3.8 p90 -92.69 70.24 4.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.445 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -118.43 -54.88 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.223 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.454 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -72.19 9.17 5.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.773 HD21 ' HA ' ' 1' ' 3' ' ' TYR . 0.9 OUTLIER -143.59 15.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.28 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' 1' ' 3' ' ' TYR . 51.5 p -87.86 167.91 13.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.771 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -67.46 -8.58 34.51 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.1 -15.2 32.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.256 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.479 ' NE2' ' C ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -60.69 -39.92 90.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.777 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 22.0 t -68.66 -6.32 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 108.268 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.53 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -105.25 22.95 14.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.53 ' O ' ' O ' ' 1' ' 12' ' ' ALA . 0.0 OUTLIER -40.71 168.33 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.93 2.2 6.85 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.544 1.813 . . . . 0.0 111.05 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.846 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 84.86 48.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.497 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 174.13 44.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.437 1.085 . . . . 0.0 109.31 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.52 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 45.9 t0 -153.46 11.47 0.45 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.561 ' NH1' HG23 ' 1' ' 45' ' ' VAL . 5.5 mtt180 -91.33 177.03 6.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.284 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.455 ' O ' ' O ' ' 1' ' 20' ' ' ASP . 2.7 t -111.45 18.83 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.455 ' O ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 35.88 91.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -53.64 -35.1 60.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 108.23 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 58.31 56.69 23.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.428 ' OH ' ' HB2' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -91.36 142.74 27.32 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 111.034 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -13.29 21.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.498 1.788 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -123.5 36.41 4.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.527 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.685 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.8 OUTLIER -54.14 117.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.492 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.8 153.53 5.91 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.567 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 60.01 5.33 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.1 tttt 179.48 -27.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.492 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -97.93 -45.5 6.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.08 . . . . 0.0 110.22 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.7 m -64.31 -54.72 28.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 108.267 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -64.84 -5.02 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.248 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.8 t30 -107.55 -26.0 11.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -86.69 -33.19 20.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.217 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 131.85 22.31 0.94 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 111.042 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 70.8 m -120.94 176.44 5.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.538 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 3.8 t -123.98 122.73 38.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 67.7 t80 -89.06 122.67 32.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.4 t70 -88.97 -84.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.4 OUTLIER 88.31 -15.56 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -63.6 -45.99 87.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.846 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.82 115.98 31.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -8.38 19.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.52 -3.58 66.65 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.429 1.081 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.764 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -119.75 179.16 0.93 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.96 116.65 4.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.535 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -89.1 28.43 1.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.023 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.685 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.3 t -172.06 108.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.622 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -143.21 -168.73 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.079 . . . . 0.0 111.048 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.12 69.31 28.79 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.646 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.95 -99.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.481 1.78 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.777 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -92.1 35.39 0.99 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.532 1.145 . . . . 0.0 109.17 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.593 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.2 mm-40 -57.44 -21.71 38.61 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.9 pt-20 -45.38 -22.87 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.365 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.12 -64.58 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.23 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.47 17.74 8.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -98.33 -87.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 108.294 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.487 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.5 t -38.3 -35.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.456 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 46.5 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.69 -122.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.384 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.511 ' HA ' ' CD1' ' 2' ' 6' ' ' LEU . 5.0 p90 -90.87 76.64 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.444 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 57.5 t -129.4 -63.19 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.426 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -67.66 3.77 4.66 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.522 1.138 . . . . 0.0 110.97 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.511 ' CD1' ' HA ' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER -152.81 28.24 0.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' 2' ' 52' ' ' LEU . 0.5 OUTLIER -88.97 173.19 8.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.717 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -69.22 -3.81 15.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.18 -10.77 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.528 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -62.6 -34.97 78.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.274 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.745 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 52.0 t -73.7 -0.71 16.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 108.366 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -116.94 12.76 14.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.933 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.7 163.29 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.933 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -75.01 30.51 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.444 1.76 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.946 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 48.57 74.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 162.79 47.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.522 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 40.2 t0 -161.14 -31.49 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.673 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 16.0 mtt180 -44.19 170.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.0 t -107.03 22.1 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.32 88.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.596 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.4 t -49.03 -35.41 15.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 108.273 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.22 54.48 37.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.41 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -89.85 136.17 29.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.998 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.01 -1.95 11.91 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.447 1.761 . . . . 0.0 111.023 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 24.26 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.4 1.063 . . . . 0.0 109.587 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.625 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -46.74 124.28 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -170.81 156.31 4.92 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.511 1.132 . . . . 0.0 110.395 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -75.03 49.0 2.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.545 1.813 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.2 OUTLIER -176.74 -18.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -99.23 -44.96 6.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.343 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.625 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.0 m -61.97 -57.72 10.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.297 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.0 -6.08 5.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 12.0 t30 -101.47 -29.5 11.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.503 ' CZ ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -87.25 -29.99 21.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.25 23.09 1.62 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.523 1.14 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.6 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.4 m -121.34 167.59 12.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.638 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -108.1 138.21 44.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 108.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.586 ' CZ ' ' HD3' ' 2' ' 28' ' ' PRO . 50.6 t80 -93.67 123.59 37.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 9.1 t70 -66.05 -98.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 91.24 -9.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.961 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . 0.408 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.2 OUTLIER -91.16 -56.17 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.165 . . . . 0.0 110.302 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.946 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -115.21 119.93 37.64 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -9.18 20.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.772 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -8.58 62.55 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.801 HG22 ' CD ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -106.3 172.85 3.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.53 0.782 . . . . 0.0 109.345 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.801 ' CD ' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 116.66 4.64 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.518 1.799 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.58 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.16 29.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 107.966 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.596 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 2.6 t -168.32 93.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.238 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.706 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -134.08 -171.07 2.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -128.2 69.23 77.71 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.0 -91.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.745 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -101.95 40.73 1.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.58 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 19.6 mm100 -51.03 -15.82 0.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.353 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.476 ' HA ' HG22 ' 2' ' 58' ' ' THR . 0.5 OUTLIER -44.67 -22.03 0.07 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.25 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -35.21 -67.16 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.9 17.62 3.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.58 -73.27 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 108.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.49 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 9.0 t -48.67 -35.14 13.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 110.362 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.49 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.464 ' O ' ' CD2' ' 1' ' 3' ' ' TYR . 3.8 pt-20 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -90.24 78.36 6.55 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.742 ' HA ' HD11 ' 1' ' 6' ' ' LEU . 4.0 p90 -90.91 73.37 6.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.531 HG13 ' N ' ' 1' ' 5' ' ' GLY . 7.2 p -128.65 -56.23 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.531 ' N ' HG13 ' 1' ' 4' ' ' VAL . . . -71.15 8.53 4.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.422 1.076 . . . . 0.0 110.973 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.742 HD11 ' HA ' ' 1' ' 3' ' ' TYR . 0.3 OUTLIER -151.09 22.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 0.741 . . . . 0.0 109.378 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' 1' ' 52' ' ' LEU . 3.2 p -84.58 167.98 15.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.053 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.722 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -66.98 -5.72 13.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.431 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -96.88 -9.23 28.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.55 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -64.42 -37.82 88.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.65 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 45.0 t -74.16 -0.42 16.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 108.393 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -104.9 7.39 34.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 1.151 . . . . 0.0 109.237 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' 1' ' 17' ' ' ASP . 0.9 OUTLIER -37.49 156.54 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.458 ' HD2' HG13 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.05 29.37 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.017 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 52.33 66.66 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 167.76 40.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.414 1.071 . . . . 0.0 109.304 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.589 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 40.0 t0 -160.65 12.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.248 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 16.6 mtt180 -90.53 176.35 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.8 t -107.16 20.1 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.516 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.7 OUTLIER 31.79 87.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.227 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.506 ' SG ' ' CE ' ' 1' ' 50' ' ' LYS . 0.1 OUTLIER -49.47 -35.32 19.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 108.298 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.49 61.19 4.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.609 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.57 144.01 28.91 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 111.04 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -7.78 19.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.585 1.834 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 23.5 m-70 -122.72 14.38 10.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.697 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.566 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.6 p -38.83 126.6 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.709 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.32 154.73 9.76 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.475 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 51.51 2.79 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.567 1.825 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.49 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 177.93 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.709 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -95.45 -44.19 7.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.348 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 38.7 m -55.86 -52.98 62.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 108.375 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -66.3 -5.01 9.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.238 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.5 t-20 -100.14 -32.6 10.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 1.151 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.91 -22.96 39.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 0.0 110.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.501 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 117.45 26.22 2.95 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.135 . . . . 0.0 110.965 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 23.7 m -118.73 -178.23 3.5 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.0 t -126.92 121.54 32.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.2 t80 -88.81 119.82 29.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 29.3 t70 -89.32 -81.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 85.23 -13.82 0.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.028 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -66.75 -40.91 88.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 1.017 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.2 mt -123.05 109.37 31.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.449 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -74.97 -3.99 14.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.093 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.82 -7.61 62.68 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.762 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.71 -176.17 0.4 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 0.737 . . . . 0.0 109.234 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.608 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.97 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.449 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -90.48 27.46 1.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 108.005 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.521 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 36.3 t -170.42 109.68 0.37 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.456 1.097 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.619 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.83 -171.25 3.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.659 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.7 71.13 14.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.615 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -75.02 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.503 1.791 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -92.69 32.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.659 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.4 mm100 -53.58 -21.11 5.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.475 ' O ' ' HB ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER -40.1 -26.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.451 1.094 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -41.59 -81.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.72 21.95 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' CD ' ' 2' ' 53' ' ' GLN . 1.8 t -108.45 -52.2 2.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.501 ' HA ' ' NE2' ' 2' ' 53' ' ' GLN . 0.6 OUTLIER -57.71 -29.76 64.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.401 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.0 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.006 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.564 ' O ' HD11 ' 2' ' 6' ' ' LEU . 5.8 mt-10 -88.71 72.52 8.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 110.331 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.727 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -90.68 63.08 5.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.493 HG23 ' N ' ' 2' ' 5' ' ' GLY . 30.4 m -121.06 -51.15 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.493 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -72.16 3.06 24.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.727 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -127.87 2.8 5.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 68.1 p -71.88 -177.5 2.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 110.086 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.738 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -73.78 -4.99 38.04 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 0.2 OUTLIER -99.04 -5.97 29.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.554 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.8 OUTLIER -65.02 -40.49 94.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.685 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 16.1 t -63.61 -8.29 9.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 108.304 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -99.97 16.4 24.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.862 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.53 162.71 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.302 -179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.862 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 28.84 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.888 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 48.85 73.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.75 48.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 22.4 t0 -163.99 -26.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -48.06 179.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.215 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 HG12 ' O ' ' 2' ' 19' ' ' VAL . 23.4 t -113.94 19.03 7.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.2 OUTLIER 33.89 91.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -56.5 -32.91 65.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.399 1.062 . . . . 0.0 108.265 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.47 56.95 19.44 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.414 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -89.59 137.28 28.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.11 18.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.96 21.83 10.5 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.445 1.09 . . . . 0.0 109.671 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.692 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.4 p -41.31 122.89 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.355 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.648 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -168.09 151.24 5.59 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.379 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 49.96 2.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.55 1.816 . . . . 0.0 111.019 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.34 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.389 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.648 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -95.8 -43.88 7.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 110.302 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 36.0 m -61.42 -56.54 19.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 108.321 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.86 -6.41 5.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -101.84 -29.47 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.487 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -85.82 -30.58 22.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.98 22.85 1.51 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.13 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.7 m -119.82 174.65 6.31 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.554 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -122.3 126.05 47.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 108.268 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.65 ' CE2' HG22 ' 2' ' 26' ' ' VAL . 13.5 t80 -93.03 125.0 37.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.2 t70 -90.04 -80.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.92 -15.61 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.426 1.079 . . . . 0.0 109.993 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.33 -59.08 5.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.703 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.2 OUTLIER -109.69 125.77 30.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -14.2 21.07 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.55 1.816 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.73 -10.01 65.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -106.14 170.0 6.29 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.568 0.805 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 114.34 4.0 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.47 1.774 . . . . 0.0 111.047 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.692 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -87.22 28.86 0.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 107.947 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.525 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.8 t -171.91 99.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 108.265 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.736 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -133.98 -166.94 1.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' HB2' ' OE1' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.57 65.91 53.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.736 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.91 -99.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.799 . . . . 0.0 110.979 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.738 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -96.83 40.93 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.349 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.667 ' N ' HE21 ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -42.4 -22.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 110.36 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 10.2 mt-10 -37.21 -29.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.362 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.72 -60.56 0.16 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -149.66 22.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -98.67 -54.12 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 108.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.468 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 0.6 OUTLIER -70.78 -38.18 73.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.436 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.468 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.59 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 4.2 mt-10 -90.47 81.21 5.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.676 ' HD2' HD12 ' 1' ' 6' ' ' LEU . 85.9 m-85 -29.13 89.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.59 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 0.2 OUTLIER -110.15 -51.13 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.975 ' C ' HD23 ' 1' ' 6' ' ' LEU . . . -74.88 10.26 9.6 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.553 1.158 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.975 HD23 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -136.54 9.23 3.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.496 ' N ' ' HB3' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -74.89 -170.27 1.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.994 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.809 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -68.32 -24.69 64.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -88.07 -5.7 58.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.356 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.694 ' HG3' ' N ' ' 1' ' 11' ' ' CYS . 0.0 OUTLIER -63.77 -38.58 91.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.34 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.694 ' N ' ' HG3' ' 1' ' 10' ' ' GLN . 13.0 t -67.15 -5.97 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.479 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -101.58 21.38 14.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.739 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -41.56 167.2 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.706 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 2.61 6.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.813 . . . . 0.0 111.031 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' 1' ' 14' ' ' PRO . . . 85.61 52.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.462 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 4.5 ptpt 174.57 46.08 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.221 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.739 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 51.2 t0 -155.59 10.99 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.581 ' NH1' HG13 ' 1' ' 45' ' ' VAL . 6.1 mtt180 -92.13 -177.1 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 6.0 t -118.64 22.38 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.87 90.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -53.07 -34.52 56.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.252 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.93 54.36 38.06 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.16 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -90.22 138.43 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.524 0.779 . . . . 0.0 110.981 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -5.63 17.06 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.488 1.783 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -128.73 34.82 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.642 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -55.05 122.07 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -166.57 152.08 7.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.01 55.08 3.84 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 6.8 ttpt 179.61 -25.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 1' ' 27' ' ' THR . 2.0 mt-10 -94.78 -45.42 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 3.8 m -63.83 -57.51 9.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 108.379 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -60.55 -7.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -105.79 -26.74 11.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.512 ' CZ ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -87.89 -26.07 22.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.266 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.511 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 124.63 20.06 2.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.548 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 78.0 m -120.86 167.36 12.61 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.1 t -114.82 125.86 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 108.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 56.5 t80 -92.12 120.49 32.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.518 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.1 t70 -88.09 -81.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.534 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.42 -17.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -55.09 -60.36 3.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.575 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER -111.18 129.18 24.28 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -75.11 -14.6 20.85 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.58 -7.33 67.0 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.48 1.113 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.872 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.78 169.01 7.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.436 0.727 . . . . 0.0 109.293 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 113.36 3.78 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.517 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -85.9 27.97 0.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 107.995 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.67 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 31.5 t -171.26 103.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 108.285 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.661 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.27 -169.65 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.044 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 68.69 29.24 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.648 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -75.06 -100.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.809 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.46 34.81 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.567 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 34.9 mm-40 -53.24 -19.12 2.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.424 ' HB3' ' OG1' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -43.13 -26.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -41.72 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.63 26.03 9.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 17.9 t -103.49 -67.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 108.219 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.434 ' HA ' ' HB2' ' 2' ' 53' ' ' GLN . 0.8 OUTLIER -79.99 -25.74 40.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.34 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' 1' ' 58' ' ' THR . 2.1 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.058 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -90.39 73.73 6.97 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 110.359 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.646 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 23.2 m-85 -88.39 66.63 8.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 49.1 t -116.91 -54.63 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.417 1.073 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.474 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -74.01 15.95 2.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.646 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -148.68 10.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 0.77 . . . . 0.0 109.362 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 92.1 p -114.41 -167.68 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.915 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.778 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -54.82 145.26 20.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.635 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 1.5 t30 94.22 -25.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.474 ' HG3' ' C ' ' 2' ' 5' ' ' GLY . 0.3 OUTLIER -59.99 -40.57 89.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.66 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.8 t -60.79 -8.45 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.28 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.562 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -99.53 23.06 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -41.8 168.9 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.173 . . . . 0.0 109.349 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.641 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -74.97 4.26 4.88 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.55 1.816 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' 2' ' 45' ' ' VAL . . . 80.62 44.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.478 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.7 OUTLIER 175.82 39.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.541 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 27.6 t70 -146.79 12.05 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.232 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.573 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 3.4 mtt180 -90.75 -175.14 4.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.609 1.193 . . . . 0.0 110.25 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.3 t -116.63 19.59 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.476 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 34.91 89.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -51.21 -33.66 28.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.72 53.96 40.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -88.94 141.19 29.43 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 111.045 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.0 -8.97 20.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -127.75 36.96 4.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.61 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.651 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -55.66 118.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.609 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.39 154.58 9.55 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.474 ' HD3' ' CZ ' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -74.92 50.98 2.64 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.489 1.783 . . . . 0.0 111.058 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -173.75 -24.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.579 1.174 . . . . 0.0 109.351 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.609 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -97.37 -44.24 6.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.516 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 7.3 m -65.27 -53.21 47.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 108.297 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -65.27 -5.4 7.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.251 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -105.04 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.242 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.467 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.83 -32.18 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.334 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.439 ' C ' ' OE1' ' 2' ' 53' ' ' GLN . . . 128.69 24.66 1.08 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.405 1.065 . . . . 0.0 111.056 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.558 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.3 m -121.85 166.64 14.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 2.2 t -114.12 128.49 56.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 0.0 108.368 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CE1' ' HA ' ' 2' ' 27' ' ' THR . 44.2 t80 -94.95 116.49 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.997 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.57 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -75.15 -82.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.57 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 87.26 -23.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 109.907 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -65.29 -47.23 77.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.89 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -115.69 110.82 44.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.55 18.19 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.472 1.775 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.03 -2.28 64.56 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.445 1.09 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -119.71 -179.66 0.73 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.537 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 117.91 5.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.797 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.513 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -89.4 28.06 1.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.582 1.176 . . . . 0.0 108.021 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.651 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 27.1 t -169.87 106.49 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 108.314 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.86 -170.49 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.468 ' CB ' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.29 70.52 43.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.66 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.01 -97.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.778 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -105.47 44.85 1.0 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 35.1 mm-40 -55.22 -14.7 1.85 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' 2' ' 58' ' ' THR . 65.2 mt-10 -47.61 -20.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.94 -67.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.575 1.172 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.39 15.01 2.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.214 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -92.43 -59.32 2.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.575 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 7.3 t -61.29 -33.13 73.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.49 ' C ' ' NE2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.417 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -90.02 -113.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.265 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.647 ' HA ' HD23 ' 1' ' 6' ' ' LEU . 16.0 p90 -90.63 59.05 4.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 92.6 t -119.21 -46.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.803 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -71.76 1.46 30.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.803 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -126.37 1.07 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 71.6 p -73.18 179.04 4.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.975 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -72.4 -5.82 39.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.233 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.49 -1.95 31.86 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.671 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 4.6 pt20 -66.07 -39.4 90.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.654 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 17.8 t -63.24 -9.13 10.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.525 1.141 . . . . 0.0 108.341 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -105.28 18.04 22.96 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.923 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.05 168.0 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.92 26.87 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.554 1.818 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.86 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 50.36 72.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.83 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.493 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 15.8 t70 -163.81 15.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.9 mtt180 -91.36 172.26 8.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.1 t -99.37 16.88 3.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.497 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 33.56 85.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CD1' ' 1' ' 23' ' ' TYR . 3.8 t -47.17 -38.78 12.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.62 58.4 3.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.131 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.629 ' O ' HG12 ' 1' ' 26' ' ' VAL . 1.5 m-85 -91.17 147.64 36.07 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.569 0.805 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -2.92 13.17 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.441 1.759 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.23 14.19 7.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.656 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.0 p -44.69 128.35 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.639 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.98 153.57 9.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.427 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' 1' ' 27' ' ' THR . 18.1 Cg_endo -75.08 52.29 3.05 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.452 1.764 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.23 -21.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.639 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -95.74 -44.16 7.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.608 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 28.3 m -55.45 -53.75 52.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -65.81 -3.78 5.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.57 1.169 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 24.4 t-20 -104.02 -29.0 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.495 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -84.33 -26.71 28.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 110.347 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.504 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.77 26.05 1.81 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 71.3 m -120.13 179.44 4.28 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.557 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.2 t -126.11 122.11 34.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 108.345 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.603 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 46.1 t80 -88.42 123.6 33.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 26.5 t70 -91.23 -81.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 86.34 -13.95 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.991 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -65.62 -43.02 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.86 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.1 mt -121.72 112.1 32.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.133 . . . . 0.0 109.244 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -5.54 16.91 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.624 1.855 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.95 -5.42 61.01 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.547 1.155 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.556 ' HB ' ' HD2' ' 1' ' 46' ' ' PRO . 0.9 OUTLIER -120.21 -177.88 0.52 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.341 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.556 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -74.98 116.0 4.46 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.419 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.48 28.29 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.942 -1.132 . . . . 0.0 107.942 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.656 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 45.0 t -171.98 107.33 0.22 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 108.337 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.34 -168.31 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.666 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.16 68.71 27.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.258 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.671 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.3 Cg_endo -74.98 -101.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.449 1.763 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.975 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -87.38 33.73 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.666 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 45.3 mm-40 -57.62 -19.27 24.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.3 OUTLIER -44.4 -24.47 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.83 -64.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.78 25.12 3.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.46 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 5.9 t -104.88 -58.06 1.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 108.28 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 3.8 t -69.15 -34.84 75.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . 0.485 ' O ' ' CD1' ' 2' ' 3' ' ' TYR . 2.3 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.83 66.18 6.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' 2' ' 3' ' ' TYR . 14.3 p90 -91.53 81.77 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.498 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 38.5 t -130.84 -64.07 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.47 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -67.51 6.01 2.79 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.497 1.123 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.705 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -156.41 27.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 109.243 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' 2' ' 3' ' ' TYR . 0.1 OUTLIER -106.0 160.31 15.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 110.022 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 1.004 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -61.01 91.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 164.02 -28.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.471 HE21 ' HA ' ' 2' ' 51' ' ' PRO . 8.0 tt0 -62.21 -29.36 70.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.636 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 44.4 t -73.3 -1.82 19.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 108.276 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.59 10.45 13.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.949 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -44.88 167.46 0.1 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.393 1.058 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.949 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 28.09 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.525 1.803 . . . . 0.0 111.003 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.018 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 48.42 64.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 178.61 36.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.439 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 8.1 t70 -160.66 17.21 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.544 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -90.5 170.61 10.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.594 1.183 . . . . 0.0 110.275 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.8 t -96.88 18.18 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 29.94 82.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -46.75 -38.02 9.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.04 58.52 13.32 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.516 1.135 . . . . 0.0 110.943 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -90.97 140.31 26.06 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -3.63 14.22 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.553 1.817 . . . . 0.0 110.994 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.475 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 2.1 t-160 -123.52 9.56 9.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.671 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.704 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.0 p -35.0 125.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.584 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -168.95 155.68 6.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.415 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.517 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.0 47.5 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 3.3 tttt -179.06 -14.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.584 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -101.38 -44.21 5.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.229 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.57 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 69.3 m -58.63 -54.24 49.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 108.3 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -63.47 -9.79 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -98.05 -28.21 13.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.99 -25.27 24.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.82 23.76 3.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.638 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 61.8 m -121.61 170.24 9.9 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 2.7 t -113.78 134.69 54.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' 2' ' 47' ' ' TRP . 40.2 t80 -96.42 117.51 31.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.97 -82.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.359 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.4 OUTLIER 85.87 -24.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.21 -43.53 94.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 1.018 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.7 OUTLIER -120.14 106.32 41.07 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.405 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.0 Cg_endo -75.06 -3.78 14.43 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.519 1.799 . . . . 0.0 110.935 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.63 -4.7 63.65 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 1.014 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.16 -175.88 0.39 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.79 . . . . 0.0 109.333 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.582 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.98 120.49 6.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.52 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -95.51 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.704 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.8 t -165.8 106.6 0.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 108.282 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.638 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.1 OUTLIER -146.49 -169.66 3.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.41 69.95 33.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.636 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.04 -96.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.487 1.782 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 1.004 HD12 ' HA ' ' 2' ' 8' ' ' ALA . 0.1 OUTLIER -97.93 35.49 1.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.562 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 30.1 mm100 -46.86 -21.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -35.74 -28.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.348 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.52 -60.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -141.5 14.31 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.501 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.97 -58.05 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.464 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 15.3 t -70.99 -44.31 66.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.982 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 0.2 OUTLIER -91.55 94.07 9.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -66.6 69.02 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.487 HG13 ' N ' ' 1' ' 5' ' ' GLY . 7.1 p -127.91 -52.36 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.073 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.497 ' O ' ' CG ' ' 1' ' 10' ' ' GLN . . . -71.06 0.08 32.4 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.534 1.146 . . . . 0.0 111.01 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.446 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -131.31 12.9 5.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.589 0.817 . . . . 0.0 109.264 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' 1' ' 8' ' ' ALA . 34.9 t -106.58 -157.17 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.96 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.946 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -67.78 81.77 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 169.57 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' 1' ' 5' ' ' GLY . 14.2 tt0 -59.92 -33.3 71.69 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.433 1.083 . . . . 0.0 110.349 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.643 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 42.1 t -65.82 -7.34 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.277 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.476 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -108.6 13.91 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.875 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -40.92 164.83 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.346 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.875 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 28.35 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.462 1.769 . . . . 0.0 111.041 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.827 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 50.31 71.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 162.97 51.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.474 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 20.3 t70 -166.56 -25.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 8.0 mtt180 -46.96 175.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.264 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.49 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.0 t -107.12 18.34 6.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.49 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 1.4 t0 33.38 87.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.45 -36.46 33.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.582 1.176 . . . . 0.0 108.297 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.67 61.23 6.58 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.18 142.12 25.86 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.508 0.77 . . . . 0.0 110.997 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 -9.45 20.92 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.455 1.766 . . . . 0.0 111.057 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.3 OUTLIER -121.46 15.87 11.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.547 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.2 p -39.16 127.36 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.559 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -167.58 152.75 6.87 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.444 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.58 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 54.52 3.69 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.559 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.0 OUTLIER -99.37 -44.49 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.3 m -56.23 -51.52 67.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.316 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -68.62 -2.3 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 26.0 t-20 -105.47 -28.74 10.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.1 -24.3 30.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.88 25.67 2.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.039 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.0 m -119.78 -179.31 3.86 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.5 t -125.83 126.59 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.293 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.58 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 45.0 t80 -89.14 121.45 31.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.575 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -84.13 -82.47 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.575 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 84.88 -22.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -62.99 -45.23 93.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.343 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.794 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -118.88 110.75 38.0 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 -6.58 18.28 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.91 -2.21 62.81 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.827 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -120.57 -177.91 0.53 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.577 0.81 . . . . 0.0 109.343 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.553 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.09 118.52 5.27 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.484 1.781 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.502 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.77 27.79 1.97 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.654 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 16.4 t -168.96 106.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 108.232 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.644 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -143.71 -170.65 3.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.664 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.36 69.19 30.87 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.644 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -96.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.443 1.76 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.946 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -91.62 32.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.664 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 54.4 mm-40 -58.93 -27.18 65.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.233 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 8.0 pm0 -42.27 -25.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.84 -62.9 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -138.13 24.9 2.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.6 OUTLIER -103.16 -54.74 2.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.572 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 1.1 t -89.11 -36.33 15.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 10.7 t80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.14 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -87.24 -16.15 36.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.127 . . . . 0.0 110.343 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.526 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 4.5 p90 -92.35 75.93 5.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.407 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -134.82 -54.68 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.503 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -67.11 -0.3 9.4 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.437 1.086 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.672 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -146.46 27.62 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 0.799 . . . . 0.0 109.296 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 73.1 p -108.42 171.44 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.051 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.76 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -64.94 87.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 0.2 OUTLIER 164.47 -26.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.606 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -60.91 -32.38 71.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.273 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.65 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 51.6 t -68.49 -6.76 26.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.292 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.452 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -104.18 21.03 17.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.552 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -43.05 168.25 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.681 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.2 Cg_endo -75.06 4.37 4.82 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.908 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 82.83 46.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.48 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 175.7 42.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.552 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 34.5 t0 -148.97 12.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.57 ' NH1' HG23 ' 2' ' 45' ' ' VAL . 5.5 mtt180 -92.03 178.97 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.22 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -110.61 21.4 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 32.09 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -48.19 -37.67 16.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.592 1.183 . . . . 0.0 108.259 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.74 57.72 15.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 111.087 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -91.18 140.4 25.79 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.777 . . . . 0.0 111.054 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -4.39 15.32 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.58 14.17 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.614 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.89 126.95 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.624 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -168.05 155.27 7.69 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.618 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.06 47.64 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.508 1.794 . . . . 0.0 111.063 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.2 OUTLIER -179.83 -17.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.624 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -97.93 -45.15 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.246 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 57.5 m -54.54 -55.25 31.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 108.295 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.44 -13.5 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.213 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -88.74 -34.76 17.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.21 -26.88 32.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 110.247 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.478 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.73 25.34 2.61 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.624 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.4 m -117.98 171.63 7.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 2.0 t -115.35 131.52 56.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.316 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 51.3 t80 -94.24 117.38 30.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -78.88 -83.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.78 -22.82 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mtp180 -65.21 -46.6 80.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.249 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.908 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.7 OUTLIER -116.58 110.7 42.26 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 109.268 -179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -6.72 18.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.4 -2.31 65.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.415 1.072 . . . . 0.0 110.999 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.789 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -120.37 -179.49 0.72 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.257 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.519 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.04 117.06 4.77 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.506 1.793 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.456 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -88.24 27.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.025 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.657 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 8.5 t -168.92 106.68 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 108.375 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.74 -170.83 3.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 111.072 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.36 70.74 63.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.331 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.65 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.97 -92.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.448 1.762 . . . . 0.0 110.993 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.76 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -102.76 39.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 20.4 mm100 -51.29 -19.89 1.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.448 ' O ' HG22 ' 2' ' 58' ' ' THR . 18.7 mt-10 -40.82 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.22 -72.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -127.02 22.29 6.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 3.1 t -98.69 -72.47 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.448 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.3 t -54.69 -39.51 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.961 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -68.69 -100.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.587 1.179 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.814 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 25.5 p90 -74.18 62.98 0.96 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.975 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.513 HG13 ' N ' ' 1' ' 5' ' ' GLY . 14.0 p -123.59 -52.48 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.513 ' N ' HG13 ' 1' ' 4' ' ' VAL . . . -69.62 1.73 13.84 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.814 HD21 ' HA ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -139.28 17.9 2.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 0.803 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -104.71 157.21 17.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.994 -179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.718 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -71.25 -3.0 17.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.78 -16.75 31.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -66.78 -37.83 85.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.102 . . . . 0.0 110.329 179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.791 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 39.6 t -71.4 -1.97 14.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 108.248 -179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -109.37 10.41 25.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.95 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -42.37 165.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.95 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -75.03 29.03 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.579 1.831 . . . . 0.0 110.948 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.979 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 45.95 63.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.71 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.45 ' H ' ' H ' ' 1' ' 18' ' ' ARG . 15.5 t70 -161.19 -20.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.582 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 6.5 mtt180 -49.06 -179.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.57 HG12 ' O ' ' 1' ' 19' ' ' VAL . 47.0 t -113.05 19.37 7.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.482 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 33.42 90.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.953 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.51 -33.14 43.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 108.288 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.8 55.96 27.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.501 1.126 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.407 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -90.84 140.94 26.38 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.465 0.744 . . . . 0.0 111.059 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.84 -6.65 18.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.502 1.791 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -132.87 47.12 2.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.597 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.677 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -64.24 122.19 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.544 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.96 153.73 6.99 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.449 179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.03 56.53 4.3 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.468 1.773 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.9 tttp -179.91 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.544 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.0 OUTLIER -98.24 -45.8 6.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.085 . . . . 0.0 110.257 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.501 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.1 m -64.3 -54.86 26.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.13 . . . . 0.0 108.259 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -64.46 -5.17 4.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.1 t30 -106.71 -26.75 11.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.481 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -84.96 -32.26 23.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.518 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 130.49 23.05 1.02 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.4 m -120.52 179.81 4.21 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' HB2' ' CD ' ' 1' ' 51' ' ' PRO . 3.7 t -125.23 129.0 49.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 108.27 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 45.0 t80 -90.25 122.87 33.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' 1' ' 47' ' ' TRP . 4.4 t0 -76.56 -89.5 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 3.0 t 90.49 -24.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.956 179.953 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.24 -43.86 66.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.069 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.979 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.5 OUTLIER -120.08 104.57 43.65 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -3.45 13.93 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.97 64.04 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.921 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.2 m -121.74 -173.85 0.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.466 0.745 . . . . 0.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.97 123.86 8.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.545 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -97.01 28.09 3.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 107.997 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.677 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 33.6 t -166.06 104.12 0.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 108.296 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.642 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.21 -172.22 3.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.673 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.01 69.98 39.32 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.926 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.627 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.99 -96.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.416 1.745 . . . . 0.0 111.023 -179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.791 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -91.95 30.93 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.999 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.673 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.19 -21.75 3.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.706 ' HG2' HG22 ' 1' ' 58' ' ' THR . 0.2 OUTLIER -39.11 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.53 -72.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.453 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.7 tt0 -127.52 24.49 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.0 t -106.42 -51.58 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.342 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.706 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -90.85 -29.84 17.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.435 179.949 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.43 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.8 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 5.0 pm0 . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.26 -135.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.683 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -80.2 61.2 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 m -121.99 -44.75 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.733 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -69.35 -3.36 38.63 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.733 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -113.71 -8.43 13.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 109.333 179.896 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.594 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 58.2 p -114.31 163.63 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.972 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . 36.51 -91.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.594 ' N ' ' O ' ' 2' ' 7' ' ' SER . 4.4 t-20 -35.6 -32.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.623 ' HB2' ' C ' ' 2' ' 6' ' ' LEU . 1.4 tt0 -64.02 -49.26 73.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.899 ' HB2' HD23 ' 2' ' 52' ' ' LEU . 40.8 t -66.9 -5.71 13.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.177 . . . . 0.0 108.261 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.15 16.86 21.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.914 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -46.7 168.02 0.14 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.914 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -74.95 27.02 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 110.996 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.007 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 50.09 65.43 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.436 ' O ' ' CE ' ' 2' ' 16' ' ' LYS . 0.0 OUTLIER 175.78 36.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.536 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 26.9 t0 -157.29 13.73 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.562 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 8.8 mtt180 -90.05 176.42 6.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.5 t -107.9 22.17 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 30.43 87.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.322 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.2 t -49.0 -33.02 10.21 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.109 . . . . 0.0 108.321 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.95 50.98 60.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.407 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -88.56 134.95 33.1 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 0.765 . . . . 0.0 110.965 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.8 15.95 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.428 1.751 . . . . 0.0 111.053 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -123.92 25.81 7.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.574 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.66 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.9 OUTLIER -47.5 121.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.613 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -166.55 151.84 7.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.481 1.113 . . . . 0.0 110.395 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.504 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.0 Cg_endo -75.1 49.28 2.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.585 1.834 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -176.06 -22.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.194 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.613 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -95.75 -45.71 6.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 10.9 m -61.82 -58.57 7.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' 2' ' 37' ' ' CYS . 0.8 OUTLIER -59.86 -9.71 3.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 19.0 t30 -100.91 -27.8 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.504 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.38 -25.21 21.69 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.43 1.081 . . . . 0.0 110.357 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.496 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 121.73 22.55 2.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 78.5 m -121.7 163.72 18.56 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.588 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.5 t -111.22 132.34 54.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 108.288 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.486 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 39.1 t80 -96.74 118.32 32.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.552 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -77.2 -83.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.552 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.4 t 86.88 -23.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -66.34 -43.1 87.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 1.007 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.2 mt -121.03 106.29 39.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.406 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.1 Cg_endo -75.05 -3.26 13.67 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.529 1.805 . . . . 0.0 110.991 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.39 -5.53 65.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.855 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.45 -175.81 0.37 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.588 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.36 6.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.57 1.826 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.66 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.77 28.38 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 13.9 t -167.06 103.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.61 -168.57 2.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.627 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.22 68.22 36.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.65 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.97 -99.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.972 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -92.37 33.15 1.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.9 mm-40 -51.84 -22.8 4.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.561 1.163 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -41.58 -22.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.75 -59.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.448 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 45.6 mt-10 -145.79 21.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.54 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -98.61 -54.7 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.445 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 8.6 t -71.03 -43.07 68.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -90.33 73.75 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.611 1.194 . . . . 0.0 110.276 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.624 ' HD1' HD23 ' 1' ' 6' ' ' LEU . 8.4 m-85 -59.27 86.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.473 HG23 ' N ' ' 1' ' 5' ' ' GLY . 33.1 m -115.05 -49.73 4.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.916 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -70.48 -0.48 31.12 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.122 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.916 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -127.74 0.8 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 0.739 . . . . 0.0 109.269 -179.973 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.518 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 58.8 p -112.1 -151.03 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 109.975 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.626 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -39.21 143.94 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.57 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 89.21 -34.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.565 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -59.74 -36.29 76.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.975 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.813 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 40.1 t -67.36 -5.41 14.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.278 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -107.37 13.93 26.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.873 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.42 166.97 0.11 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.963 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.873 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.1 Cg_endo -74.99 27.94 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.96 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.018 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 47.87 61.83 2.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.366 -179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.416 ' CE ' ' HG2' ' 1' ' 14' ' ' PRO . 0.0 OUTLIER 179.96 34.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.469 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 16.7 t0 -157.59 14.61 0.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.107 . . . . 0.0 109.365 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.545 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 10.7 mtt180 -88.57 174.29 8.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.537 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 13.2 t -104.59 21.19 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.537 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 29.91 87.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -49.43 -33.27 13.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.367 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.22 60.57 3.99 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.552 1.158 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.597 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -90.75 146.48 34.14 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 111.03 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -10.52 21.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -127.08 35.4 4.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.521 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -57.83 128.34 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.554 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -169.9 155.19 5.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.429 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.04 55.78 4.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.482 1.78 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.0 OUTLIER 176.84 -21.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.554 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -98.84 -46.38 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.339 179.933 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 20.8 m -56.0 -50.78 69.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.417 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.76 -1.93 8.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -102.59 -33.39 9.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.597 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -80.45 -25.19 39.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.97 24.98 2.38 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.594 1.184 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 30.7 m -116.9 -179.81 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.9 t -126.44 125.63 42.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 108.282 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 57.2 t80 -87.23 121.41 29.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.586 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -84.15 -84.38 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 -179.968 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.586 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.51 -22.5 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -64.11 -42.24 96.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 1.018 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.3 mt -121.22 107.36 37.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.2 Cg_endo -75.01 -4.52 15.53 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.524 1.802 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.99 -6.01 63.69 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.935 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -120.96 -175.14 0.33 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.609 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -74.99 119.16 5.53 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.56 30.81 1.1 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.485 1.115 . . . . 0.0 108.021 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.612 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 22.0 t -171.53 112.55 0.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.576 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -149.91 -170.98 3.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 111.073 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.618 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.95 72.36 33.43 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.661 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -75.09 -97.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.813 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.3 OUTLIER -93.92 32.77 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.324 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.618 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.5 mm-40 -53.79 -23.93 13.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.51 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -39.1 -27.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.363 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -52.06 -87.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -84.62 11.74 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 110.259 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 14.2 t -105.5 -68.33 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 108.29 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.51 HG22 ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -47.21 -30.23 2.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -88.29 58.21 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.477 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 9.4 m-85 -90.59 78.26 6.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.503 HG23 ' N ' ' 2' ' 5' ' ' GLY . 22.4 m -119.51 -51.43 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.995 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -70.56 -1.03 34.76 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.995 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -130.37 10.98 5.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.336 179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.459 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -106.77 -163.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.034 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.602 ' HA ' HD23 ' 2' ' 52' ' ' LEU . . . -59.06 85.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' 2' ' 7' ' ' SER . 2.6 t-20 166.29 -30.46 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.469 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 20.7 tt0 -63.49 -32.51 73.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.96 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 19.4 t -65.03 -7.5 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.09 7.86 34.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 109.256 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.703 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.8 OUTLIER -38.95 158.15 0.11 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.465 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.5 Cg_endo -74.92 29.55 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.575 1.829 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.005 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 53.12 70.3 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.94 41.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.249 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.703 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 40.0 t0 -162.25 12.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.633 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 11.4 mtt180 -92.01 179.41 5.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.253 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.528 HG12 ' O ' ' 2' ' 19' ' ' VAL . 31.4 t -108.52 20.05 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.5 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.17 88.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.638 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 5.1 t -52.58 -35.06 53.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.437 1.085 . . . . 0.0 108.313 179.921 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.25 57.94 2.51 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' SG ' ' 2' ' 21' ' ' CYS . 2.9 m-30 -91.56 148.29 37.06 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.562 0.801 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -3.3 13.73 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.563 1.823 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' HB2' ' NH1' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -123.62 13.38 9.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.629 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.859 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -43.8 122.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.506 1.129 . . . . 0.0 109.412 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.618 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -165.94 154.15 9.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 110.396 -179.933 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.549 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.1 Cg_endo -75.04 48.93 2.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -179.21 -18.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.236 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.618 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.8 OUTLIER -99.35 -44.99 6.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 59.3 m -55.04 -56.76 16.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.2 -14.0 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.424 1.078 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -91.62 -30.88 16.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.355 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.481 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -84.91 -26.6 27.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.19 21.42 3.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.526 1.142 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 95.5 m -114.06 174.89 5.72 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.494 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -121.36 125.71 47.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 108.339 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.4 t80 -91.06 121.55 32.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 111.086 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -84.96 -82.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.918 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.59 -24.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -63.38 -41.97 98.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 1.005 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.81 107.8 35.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.436 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.05 -3.51 14.03 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.46 -7.51 65.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.832 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -121.21 -175.46 0.35 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.444 0.732 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.621 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -74.95 118.87 5.43 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.533 1.807 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.518 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -90.68 27.05 1.85 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 107.983 -179.958 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.859 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 36.8 t -171.92 103.45 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 108.258 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.732 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.19 -167.84 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.426 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -123.65 65.27 33.31 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.732 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.5 Cg_endo -74.96 -96.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.491 1.785 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.96 HD12 ' HB2' ' 2' ' 11' ' ' CYS . 0.0 OUTLIER -105.71 28.74 7.21 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' 2' ' 54' ' ' GLU . 0.0 OUTLIER -45.38 -18.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.347 179.991 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 12.0 pt-20 -42.23 -23.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.528 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -30.04 -70.45 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.72 9.85 6.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 5.0 t -88.31 -74.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 108.34 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.491 ' H ' ' HA ' ' 2' ' 54' ' ' GLU . 2.6 t -41.73 -36.82 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 110.406 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.485 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.926 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.649 ' H1 ' HG21 ' 1' ' 4' ' ' VAL . 3.9 tp10 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.74 -75.25 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 110.285 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.408 ' O ' ' OG ' ' 1' ' 7' ' ' SER . 9.2 m-85 -90.06 81.57 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.649 HG21 ' H1 ' ' 1' ' 1' ' ' GLU . 45.4 t -126.18 -50.26 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.238 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.793 ' O ' HD13 ' 1' ' 6' ' ' LEU . . . -70.67 0.25 28.49 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.793 HD13 ' O ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -128.06 -0.05 5.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 0.719 . . . . 0.0 109.3 -179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.467 ' C ' ' HB2' ' 1' ' 52' ' ' LEU . 5.7 m -111.12 -151.64 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.597 ' O ' ' HB3' ' 1' ' 9' ' ' ASN . . . -38.44 144.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.597 ' HB3' ' O ' ' 1' ' 8' ' ' ALA . 8.3 t-20 88.52 -37.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.469 ' OE1' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -58.08 -41.07 82.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.796 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 31.4 t -64.08 -8.81 13.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 108.264 -179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -99.23 20.12 14.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.537 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -40.86 168.13 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.408 1.068 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.667 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.2 Cg_endo -74.95 5.0 4.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.453 1.765 . . . . 0.0 111.021 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.928 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 81.51 46.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.445 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 177.66 43.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.537 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 20.0 t70 -151.41 11.51 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.6 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.4 mtt180 -92.23 -177.08 4.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -114.89 21.33 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.484 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.43 89.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.26 -33.47 19.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 180.0 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.26 55.78 27.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.4 1.062 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.427 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.51 142.07 27.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 111.006 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.04 -8.91 20.45 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -131.68 49.86 2.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.654 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.4 p -66.09 121.79 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.364 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.526 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -168.73 154.02 6.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 110.398 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.592 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 57.14 4.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.394 1.734 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.2 tttp -179.16 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.526 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -98.02 -46.23 5.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 110.346 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.518 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 4.2 m -64.14 -54.83 27.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.1 m-80 -64.21 -5.58 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.0 t30 -106.54 -27.09 11.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.498 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.02 -30.5 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.564 1.165 . . . . 0.0 110.326 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 128.5 22.91 1.28 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.7 m -120.12 177.15 5.11 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -122.92 128.36 50.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 108.322 179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.592 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.6 t80 -89.71 120.98 31.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 4.3 t0 -75.69 -89.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.3 t 89.61 -22.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.972 179.93 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -71.24 -45.04 64.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.83 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.3 OUTLIER -119.68 106.95 41.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.92 14.62 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.76 -3.2 64.42 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.928 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.18 -175.56 0.36 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 122.33 7.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.493 1.786 . . . . 0.0 110.95 -179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.542 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -94.03 28.43 2.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 107.957 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.654 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 31.8 t -167.72 103.43 0.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.352 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.637 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.32 -171.45 3.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 111.05 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.91 39.69 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.681 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.1 Cg_endo -75.03 -99.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.498 1.789 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.796 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -93.18 34.25 1.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 1.17 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.576 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 40.8 mm-40 -53.22 -21.94 5.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.16 -27.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -39.68 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -124.31 25.29 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.488 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.6 t -102.6 -71.91 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 108.27 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.433 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 10.0 t -59.05 -38.45 79.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.452 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.433 ' C ' ' O ' ' 1' ' 58' ' ' THR . 19.5 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 111.043 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -89.92 69.58 7.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.457 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 5.4 m-85 -90.56 88.85 7.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.477 HG23 ' N ' ' 2' ' 5' ' ' GLY . 4.4 m -118.66 -50.34 3.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.922 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -71.23 1.11 28.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.922 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -130.3 7.78 5.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 0.745 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.469 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -107.99 -162.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 179.999 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.735 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -58.99 84.49 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.557 1.161 . . . . 0.0 109.334 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 167.11 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.306 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.461 ' O ' ' HB ' ' 2' ' 13' ' ' VAL . 18.7 tt0 -66.4 -28.9 68.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.764 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 41.2 t -69.72 -3.1 13.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.469 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -114.52 9.87 16.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.892 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.47 164.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.892 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 33.83 0.38 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.989 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 43.64 71.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.605 1.191 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 169.52 41.86 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.257 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.489 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 30.0 t70 -156.89 -30.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 179.924 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.655 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -45.28 171.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.53 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.6 t -105.29 20.73 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 30.49 86.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.8 OUTLIER -49.36 -36.04 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.564 1.165 . . . . 0.0 108.366 179.991 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.26 60.09 9.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.581 1.176 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.639 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.74 139.01 24.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -2.11 12.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.478 1.778 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.54 14.04 7.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.605 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.552 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.6 p -38.71 127.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.607 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -167.07 153.81 8.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 110.458 -179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.569 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.96 46.98 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.482 1.78 . . . . 0.0 111.022 -179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER -178.95 -15.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 -179.946 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.607 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -100.15 -45.21 5.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.351 179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.552 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 62.1 m -55.51 -55.39 32.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -62.21 -12.57 20.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -95.29 -26.93 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.639 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.37 -26.23 23.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 119.86 23.07 3.13 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 110.974 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.646 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 56.9 m -120.27 173.42 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.9 t -114.63 133.58 55.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 1.116 . . . . 0.0 108.274 -179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 46.5 t80 -89.12 124.01 33.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.609 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -69.08 -97.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.609 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.9 t 94.27 -12.24 0.12 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . 0.419 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 10.7 mtp180 -90.07 -57.55 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.989 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.4 mt -107.1 116.37 58.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -14.64 21.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.542 1.811 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -6.24 67.49 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.941 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.85 171.07 4.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.941 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.432 1.754 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.535 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.19 30.69 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 107.957 -179.977 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.63 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 4.8 t -165.9 96.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 108.282 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.44 -172.91 3.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.508 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.34 69.31 31.01 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.02 -95.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.401 1.738 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.764 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -100.87 39.93 1.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.552 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 25.1 mm100 -49.68 -18.61 0.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.575 ' HG2' HG21 ' 2' ' 58' ' ' THR . 3.0 mt-10 -41.77 -25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.482 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.88 -68.48 0.11 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' 1' ' 50' ' ' LYS . 1.7 mt-10 -137.93 21.85 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -99.92 -52.76 3.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.15 . . . . 0.0 108.217 -179.922 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.575 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 6.5 t -70.75 -31.08 67.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.4 -179.954 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.459 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.888 ' O ' HG12 ' 1' ' 4' ' ' VAL . 1.1 tt0 -91.0 81.66 5.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.538 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 22.5 m-85 -25.56 85.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.888 HG12 ' O ' ' 1' ' 2' ' ' GLU . 6.2 p -139.99 -46.7 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.506 ' O ' ' CG ' ' 1' ' 10' ' ' GLN . . . -71.62 -2.13 48.72 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.673 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -131.38 13.76 5.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 0.755 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.442 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 79.2 p -105.01 -170.64 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.724 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -58.92 86.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 164.23 -29.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.746 ' O ' HG13 ' 1' ' 13' ' ' VAL . 9.3 tt0 -63.99 -34.26 77.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.728 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 40.1 t -61.7 -8.05 4.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 108.282 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.428 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -107.86 21.94 16.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.836 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.6 OUTLIER -48.78 167.73 0.2 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 109.305 179.985 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.698 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.7 Cg_endo -74.85 5.54 3.85 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.508 1.794 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.716 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 85.47 57.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.242 179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.494 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 171.2 44.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.942 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.836 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 27.6 t0 -151.55 8.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.321 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.662 ' NH1' ' CZ ' ' 1' ' 49' ' ' PHE . 3.1 mtt180 -91.4 176.44 6.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.511 HG12 ' O ' ' 1' ' 19' ' ' VAL . 24.3 t -113.69 23.05 5.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.41 89.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.987 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.03 -33.55 18.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 108.321 179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.53 57.3 19.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.413 ' O ' HG12 ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -90.34 138.15 27.23 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.531 0.783 . . . . 0.0 110.959 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -5.45 16.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.462 1.769 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -123.73 18.36 9.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.596 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.621 HG21 ' HE3' ' 1' ' 47' ' ' TRP . 1.2 p -39.99 124.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.721 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.66 153.41 8.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.457 179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.96 53.97 3.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.503 1.791 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -24.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.721 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.2 OUTLIER -93.63 -42.65 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 61.0 m -61.18 -56.58 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 108.323 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -65.53 -3.46 4.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 19.0 t30 -105.46 -28.04 11.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.507 ' CZ ' ' SG ' ' 1' ' 21' ' ' CYS . 0.0 OUTLIER -85.53 -29.99 23.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.553 1.158 . . . . 0.0 110.345 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.425 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . . . 127.81 22.67 1.41 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.8 m -118.95 178.27 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.534 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -121.01 129.75 53.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 108.252 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 38.4 t80 -81.78 128.92 34.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 111.038 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.569 ' CB ' ' HA ' ' 1' ' 47' ' ' TRP . 8.0 t70 -63.52 -100.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.328 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.0 OUTLIER 89.92 -7.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.002 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.4 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 3.4 mtp180 -91.14 -60.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.716 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.21 130.8 24.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.94 -11.57 21.59 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.533 1.807 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.89 65.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.859 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -102.35 169.95 6.96 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.387 0.698 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.859 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 115.87 4.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.621 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -85.62 30.3 0.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.1 t -171.14 96.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.286 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.45 -174.41 3.75 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 111.05 179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.17 70.39 42.05 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.1 Cg_endo -75.06 -100.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.548 1.815 . . . . 0.0 110.966 -179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.728 HD23 ' HB3' ' 1' ' 11' ' ' CYS . 0.4 OUTLIER -93.54 33.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.556 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 41.6 mm-40 -51.95 -21.8 3.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.315 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.492 ' O ' HG22 ' 1' ' 58' ' ' THR . 1.0 OUTLIER -41.17 -26.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.43 -72.25 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -127.29 25.17 6.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.425 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.4 t -102.61 -61.49 1.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 108.254 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.492 HG22 ' O ' ' 1' ' 54' ' ' GLU . 13.5 t -68.84 -35.55 77.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.428 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.155 . . . . 0.0 110.982 179.965 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' 2' ' 4' ' ' VAL . 19.3 tt0 -90.23 -132.3 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.587 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -67.06 66.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.423 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 71.6 t -124.62 -52.67 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.428 ' O ' ' CD ' ' 2' ' 10' ' ' GLN . . . -71.32 0.93 29.88 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.602 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -131.75 9.57 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.321 -179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.487 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 16.0 t -106.35 -164.09 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.027 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.71 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -59.16 83.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 169.18 -31.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.476 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 16.1 tt0 -65.26 -29.31 70.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.333 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.819 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 41.4 t -68.64 -4.6 16.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 108.27 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -112.56 10.31 19.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.536 1.147 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.826 HG21 ' HB3' ' 2' ' 17' ' ' ASP . 0.5 OUTLIER -41.01 162.52 0.11 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.983 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.649 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -74.99 30.33 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.496 1.788 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.029 ' HB1' HG11 ' 2' ' 45' ' ' VAL . . . 52.36 71.0 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.11 42.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.826 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 36.5 t0 -159.3 9.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.58 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 8.8 mtt180 -91.09 178.48 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.489 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -108.54 18.19 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.365 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.58 85.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -49.28 -36.75 21.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 108.297 179.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.89 60.16 8.78 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -92.13 139.7 24.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.004 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -2.85 13.08 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.551 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 1.4 t60 -125.54 13.38 8.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -38.78 127.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.601 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.29 155.02 6.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.41 179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.497 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.03 47.91 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.441 1.759 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 0.9 OUTLIER -178.72 -16.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.36 -179.97 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.601 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -100.55 -45.95 5.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.5 m -55.65 -55.73 28.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 108.241 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.42 -12.33 14.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -94.78 -29.26 14.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.238 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.74 -24.62 25.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 179.962 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.416 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.3 22.58 3.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.396 1.06 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.62 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.2 m -120.86 167.59 12.36 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.507 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.3 t -111.49 134.82 52.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 108.322 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 47.6 t80 -97.9 116.07 29.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.545 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.2 OUTLIER -75.63 -84.76 0.05 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.545 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.1 t 88.01 -25.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.043 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -66.18 -43.2 87.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.901 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.5 105.48 41.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.437 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.04 -3.03 13.32 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.28 -6.67 68.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 111.054 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 1.029 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.73 -176.88 0.44 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.323 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.5 Cg_endo -75.02 119.63 5.72 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.46 1.768 . . . . 0.0 111.049 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.459 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.62 28.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 107.974 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.639 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 7.4 t -165.62 101.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 108.275 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.64 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -142.26 -169.89 3.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 111.061 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.3 69.84 31.72 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.648 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.03 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.46 1.768 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.819 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -99.71 38.99 1.36 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.546 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.0 mm100 -52.04 -17.6 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.504 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.2 pt-20 -43.91 -21.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 110.296 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.504 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.27 -66.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' OE1' ' HB1' ' 2' ' 55' ' ' ALA . 14.8 mp0 -139.04 12.69 2.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -89.08 -58.24 2.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . . . . . . . . . 4.5 t -61.44 -34.03 74.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.16 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' 1' ' 2' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' 1' ' 1' ' ' GLU . 0.5 OUTLIER -89.43 -134.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.402 ' H ' ' CG ' ' 1' ' 2' ' ' GLU . 0.1 OUTLIER -91.51 66.02 5.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.032 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 93.5 t -128.88 -48.89 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.419 ' C ' ' HG3' ' 1' ' 10' ' ' GLN . . . -70.39 4.09 9.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.787 HD23 ' C ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -145.53 18.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 0.81 . . . . 0.0 109.277 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 65.7 p -90.95 164.71 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.812 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -67.43 -6.51 19.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.468 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -97.0 -5.44 37.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.494 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -65.41 -39.79 92.58 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.636 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 42.1 t -64.97 -7.86 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 108.298 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -99.32 21.09 12.49 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.535 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -42.85 167.7 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.689 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.6 Cg_endo -74.86 2.85 6.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.014 179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.947 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 83.42 46.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.487 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 174.25 41.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.327 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.535 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 31.7 t70 -148.15 12.16 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.585 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 1.5 mtt180 -91.48 -178.81 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.0 t -112.89 21.28 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.211 -179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.499 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 32.82 89.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.38 -33.33 13.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 108.328 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.65 56.06 26.63 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.546 1.153 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.426 ' HB2' ' SG ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -91.21 140.98 25.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.441 0.73 . . . . 0.0 111.019 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.04 -7.08 18.81 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 54.5 1.94 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.377 1.048 . . . . 0.0 109.629 179.917 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.619 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -70.69 124.4 26.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.536 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -170.2 154.7 5.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.382 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.577 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 57.27 4.49 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 16.8 tttt 179.42 -24.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.536 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.4 mp0 -97.66 -47.36 5.65 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.2 m -65.36 -54.15 33.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.481 HD21 ' H ' ' 1' ' 38' ' ' PHE . 27.8 m120 -63.47 -6.97 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -106.58 -26.84 11.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.494 ' C ' ' CD ' ' 1' ' 34' ' ' ARG . 0.0 OUTLIER -83.64 -29.41 27.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 126.2 22.99 1.64 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 67.2 m -120.08 179.05 4.39 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.526 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -123.66 125.25 44.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 108.306 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 54.5 t80 -83.52 126.65 33.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 8.5 t70 -70.43 -98.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.2 t 94.19 -13.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.41 -52.83 4.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.837 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -115.08 109.12 47.21 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -2.96 13.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.476 1.777 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.23 -1.61 59.35 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.947 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -119.88 -176.51 0.4 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.89 121.68 6.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.581 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -95.32 28.24 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 107.98 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.619 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 24.8 t -167.91 100.24 0.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 108.321 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.71 -171.63 3.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.965 -179.96 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.75 69.31 35.01 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.638 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.0 Cg_endo -74.98 -98.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.447 1.762 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.812 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER -93.13 33.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.3 mm-40 -53.89 -18.46 3.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.454 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -43.38 -25.22 0.13 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -38.0 -66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -136.56 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.587 1.179 . . . . 0.0 110.333 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.7 t -105.52 -51.19 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 108.34 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.455 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.5 t -78.99 -43.4 24.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' 1' ' 58' ' ' THR . 65.1 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.68 -114.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.424 1.078 . . . . 0.0 110.269 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.787 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 0.5 OUTLIER -89.22 71.68 8.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.969 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.32 -50.68 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.478 ' O ' ' NE2' ' 2' ' 10' ' ' GLN . . . -71.19 2.05 22.0 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.474 1.109 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.787 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER -139.23 18.13 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 0.716 . . . . 0.0 109.27 -179.998 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.429 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 3.9 p -105.3 171.53 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.704 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -59.88 86.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.626 1.204 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.429 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.1 OUTLIER 169.62 -31.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.078 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.516 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.92 -31.84 72.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.255 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.643 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 53.2 t -68.96 -5.2 20.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 108.278 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -107.67 11.73 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.929 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.98 164.75 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.929 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.92 28.72 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 111.027 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.788 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 50.3 74.27 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 109.386 -179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.15 46.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 109.291 -179.949 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.524 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 10.8 t70 -157.88 -30.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.241 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.656 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.0 mtt180 -44.53 172.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.26 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.4 t -110.23 22.55 4.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.9 OUTLIER 32.1 89.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.605 ' N ' ' HZ1' ' 2' ' 50' ' ' LYS . 1.9 t -51.28 -31.97 23.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 108.338 -179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.16 51.18 57.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.427 ' HB2' ' SG ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -87.56 133.6 37.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 110.974 -179.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -0.71 10.31 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.495 1.787 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.31 22.41 7.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 109.594 -179.939 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.626 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.5 p -45.0 124.63 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.608 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -167.05 152.39 7.24 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.455 1.097 . . . . 0.0 110.456 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.587 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.96 48.87 2.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.09 -20.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.957 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.608 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -96.97 -43.94 7.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.977 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.626 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 63.7 m -61.01 -58.01 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 108.353 -179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.6 m-80 -63.82 -5.17 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 18.9 t30 -103.66 -27.32 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.533 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.78 -26.16 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.997 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.491 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 123.2 21.45 2.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.9 m -118.76 168.59 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.504 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 5.3 t -111.94 133.91 53.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 108.274 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.2 t80 -88.34 126.26 35.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -67.72 -98.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.5 t 89.63 -7.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.057 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . 0.441 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 0.1 OUTLIER -91.05 -56.13 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.963 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.788 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -120.42 127.07 26.49 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -12.65 21.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.498 1.788 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.95 -8.18 67.39 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -103.47 170.29 6.37 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.443 1.76 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.616 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.66 29.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.035 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.5 t -171.01 93.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 108.3 -179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.678 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -132.99 -171.81 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.974 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.605 ' HZ1' ' N ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -126.23 69.64 67.93 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.98 -97.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.584 1.833 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -96.49 33.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.344 179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -46.37 -22.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -38.83 -26.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.132 . . . . 0.0 110.291 -179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.41 -66.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -130.44 15.86 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.365 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.545 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -96.46 -86.97 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 108.263 -179.924 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.8 OUTLIER -37.32 -32.66 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.384 -179.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.0 mp0 -69.74 72.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.63 ' N ' ' CD1' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -56.17 82.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.563 HG23 ' N ' ' 1' ' 5' ' ' GLY . 17.7 m -135.31 -54.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.902 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -58.11 -11.89 10.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.902 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -135.61 26.24 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 0.817 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.88 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 7.6 t -105.9 114.82 29.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.945 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.694 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . 26.07 -76.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.88 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.7 OUTLIER -37.07 -25.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.96 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.67 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.8 OUTLIER -55.37 -45.52 76.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.798 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 19.2 t -63.46 -6.84 5.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 108.277 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -107.95 16.29 23.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.225 -179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.931 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.2 167.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.97 27.37 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.923 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 52.61 71.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.581 1.176 . . . . 0.0 109.326 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.489 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 166.47 41.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.937 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.627 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 8.7 t70 -159.38 11.11 0.13 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.491 1.119 . . . . 0.0 109.368 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.586 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 6.9 mtt180 -91.44 176.26 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.514 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.5 t -105.71 20.73 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 31.75 86.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.245 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.572 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.02 -35.66 25.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.92 62.93 2.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.629 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.69 149.87 39.95 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.959 -179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -9.95 21.04 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.06 18.77 10.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.602 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.728 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.7 p -44.99 121.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.541 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -163.1 154.89 15.19 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.436 1.085 . . . . 0.0 110.441 179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.85 55.59 3.91 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.51 1.795 . . . . 0.0 111.035 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.56 -21.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.541 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -99.65 -43.59 6.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.604 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.4 m -56.42 -52.32 65.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 1.07 . . . . 0.0 108.283 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -68.55 -2.27 8.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 20.6 t30 -104.92 -29.04 10.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.629 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.35 -24.69 29.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.486 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.64 24.36 2.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.0 m -117.83 179.63 4.02 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.21 126.13 44.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 45.5 t80 -88.94 121.32 31.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.533 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.81 -84.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.533 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.83 -23.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.045 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 0.6 OUTLIER -64.96 -43.86 91.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.938 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.875 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -120.64 106.96 39.09 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.921 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.4 Cg_endo -74.96 -3.25 13.64 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.962 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.43 -6.4 66.22 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.923 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -121.64 -175.42 0.35 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.408 0.71 . . . . 0.0 109.316 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.575 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 118.96 5.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 179.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.507 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.32 28.59 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.98 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.728 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 19.6 t -169.48 108.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.275 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.63 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.55 -170.38 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.923 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.658 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.07 69.77 29.31 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.67 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.4 Cg_endo -74.95 -99.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.798 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -89.89 32.55 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.658 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm100 -54.38 -20.85 8.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 3.6 pt-20 -41.53 -26.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.434 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.2 -72.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -125.32 25.33 7.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.097 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 5.0 t -105.99 -55.93 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 108.279 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.437 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.9 OUTLIER -90.27 -31.03 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.916 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.359 -0.237 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.37 -116.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.338 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.438 ' O ' ' CB ' ' 2' ' 7' ' ' SER . 0.8 OUTLIER -91.28 79.63 5.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.996 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.626 HG13 ' H ' ' 2' ' 5' ' ' GLY . 2.4 p -135.83 -60.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.626 ' H ' HG13 ' 2' ' 4' ' ' VAL . . . -67.2 2.92 4.76 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.515 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -153.68 23.73 0.52 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.497 0.763 . . . . 0.0 109.248 179.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.456 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 10.4 t -108.23 149.37 28.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.717 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -58.15 86.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.18 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.2 OUTLIER 168.85 -29.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.349 179.975 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.64 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.08 -28.92 69.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.665 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 51.0 t -74.55 -3.11 29.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.571 1.169 . . . . 0.0 108.24 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.83 11.21 14.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.342 -179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.944 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -45.03 167.76 0.1 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.91 28.07 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.989 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 47.81 63.37 2.05 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.06 35.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.219 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.468 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 7.5 t70 -157.51 13.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.361 179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.537 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 12.4 mtt180 -87.41 173.82 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.578 HG12 ' O ' ' 2' ' 19' ' ' VAL . 51.2 t -103.41 19.61 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 30.56 84.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 179.964 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.47 -34.49 11.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 108.315 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.54 59.35 6.01 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.638 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -91.21 144.15 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.771 . . . . 0.0 111.086 179.974 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.7 Cg_endo -74.89 -3.89 14.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.408 1.741 . . . . 0.0 111.048 179.917 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.4 OUTLIER -124.07 11.37 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.532 -179.946 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.75 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.6 p -38.93 121.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.625 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.09 158.96 10.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.352 179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.521 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -75.05 48.96 2.14 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.427 1.751 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.21 -16.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.625 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.9 OUTLIER -98.67 -45.74 5.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 93.2 m -54.82 -56.43 19.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 108.282 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -61.88 -11.33 12.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.421 1.076 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -90.14 -35.83 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.638 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.7 -25.58 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.465 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.2 26.64 2.65 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.513 1.133 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 49.1 m -119.62 169.6 9.94 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 1.5 t -113.57 133.15 55.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 108.266 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.44 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 54.1 t80 -95.61 116.62 29.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.569 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -76.44 -84.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.948 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.29 -23.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -65.68 -41.54 92.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.989 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.3 mt -120.72 106.88 39.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -5.1 16.37 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.486 1.782 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.1 -6.0 65.36 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.91 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -120.65 -176.34 0.4 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.589 ' CD ' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 120.11 5.92 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.491 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.9 28.12 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 107.991 179.954 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.75 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t -167.45 110.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.399 1.062 . . . . 0.0 108.336 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.604 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -150.15 -171.06 3.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.496 ' HE3' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -122.44 72.32 38.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.088 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.64 ' HA ' ' NE2' ' 2' ' 10' ' ' GLN . 18.4 Cg_endo -74.99 -96.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.483 1.78 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -101.48 39.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.496 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 31.6 mm-40 -51.94 -19.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -41.99 -23.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 179.951 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.17 -65.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -143.81 20.8 1.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -100.12 -55.16 2.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.298 179.999 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.532 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 4.5 t -66.39 -44.03 84.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 -179.967 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.818 ' O ' HG23 ' 1' ' 4' ' ' VAL . 2.6 mm-40 -92.22 91.59 7.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 110.25 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.506 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 14.6 m-85 -29.02 85.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.818 HG23 ' O ' ' 1' ' 2' ' ' GLU . 73.0 t -137.61 -48.22 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.488 ' O ' ' HG3' ' 1' ' 10' ' ' GLN . . . -64.33 -9.47 36.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.484 ' N ' HD23 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -118.95 8.38 11.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 0.0 109.257 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.562 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 0.8 OUTLIER -107.95 -154.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.025 179.939 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.689 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -54.9 82.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.642 1.214 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 163.36 -30.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.589 1.18 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.688 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -65.2 -26.84 68.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.799 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 46.8 t -74.0 -2.85 25.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 108.272 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -114.07 9.33 17.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.912 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.76 167.61 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 -179.966 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.912 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 27.98 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.538 1.809 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.021 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 49.13 65.65 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.581 1.176 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.15 36.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.489 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 34.4 t0 -159.34 15.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.598 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 12.5 mtt180 -89.85 172.21 9.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 4.1 t -101.68 18.15 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.85 87.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.486 1.116 . . . . 0.0 109.221 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -49.59 -37.11 26.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 108.273 179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.38 63.11 3.54 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.112 . . . . 0.0 110.977 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.607 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.47 144.99 29.68 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.469 0.747 . . . . 0.0 110.974 -179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -8.06 19.72 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.9 OUTLIER -124.23 16.59 9.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.633 -179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.546 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.2 p -39.05 127.67 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.706 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.35 153.75 7.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.377 179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.581 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.98 51.33 2.75 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.999 179.983 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER -179.91 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.932 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.706 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -95.91 -44.79 7.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.433 1.083 . . . . 0.0 110.248 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.546 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 31.2 m -56.31 -51.1 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 108.303 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.91 -1.24 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.42 1.075 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 48.6 t30 -106.32 -29.44 9.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.607 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.1 -24.36 32.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.485 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.16 26.35 2.28 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 13.7 m -119.95 -177.99 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 3.1 t -128.31 125.11 38.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 108.333 179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' 1' ' 40' ' ' SER . 68.5 t80 -88.95 119.49 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.098 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.513 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.4 t70 -89.28 -82.62 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.2 OUTLIER 86.69 -16.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.596 1.185 . . . . 0.0 109.975 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -62.52 -42.76 99.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.958 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.9 110.05 33.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.964 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.429 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -5.42 16.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 110.953 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.09 -6.33 63.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.021 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.71 -176.31 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 109.297 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.577 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.12 117.39 4.87 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.547 1.814 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.429 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -91.88 27.65 2.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 107.963 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.534 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 42.1 t -169.01 109.2 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.626 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.3 OUTLIER -147.96 -170.82 3.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.913 -179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.643 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -118.6 71.58 9.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.688 ' HA ' ' NE2' ' 1' ' 10' ' ' GLN . 18.4 Cg_endo -75.0 -97.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.799 HD23 ' HB3' ' 1' ' 11' ' ' CYS . 0.6 OUTLIER -92.65 33.04 1.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.643 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.8 mm100 -52.02 -25.4 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -36.39 -27.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.967 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.91 -64.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.376 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -124.29 14.03 8.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.248 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.468 ' HB2' ' O ' ' 1' ' 53' ' ' GLN . 0.5 OUTLIER -94.0 -88.16 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 108.357 179.947 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' H ' ' HA ' ' 1' ' 54' ' ' GLU . 2.9 t -41.02 -43.83 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' 1' ' 58' ' ' THR . 31.2 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 111.053 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' 2' ' 3' ' ' TYR . 11.7 pm0 -89.94 -128.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.517 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 10.2 p90 -91.41 68.61 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.462 HG23 ' N ' ' 2' ' 5' ' ' GLY . 16.4 m -123.65 -53.58 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.947 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.462 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -70.7 1.95 19.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.54 1.15 . . . . 0.0 110.958 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.569 ' C ' HD22 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -135.07 17.94 3.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 36.8 p -87.21 -178.89 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 110.053 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.725 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -71.15 -8.28 52.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -94.08 -8.29 40.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.629 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 1.5 pt20 -65.57 -38.5 89.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.218 -179.889 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.801 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 21.0 t -65.45 -7.0 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 108.292 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -106.22 16.19 25.23 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.427 1.079 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.919 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.31 167.19 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.374 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.919 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.97 27.97 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.899 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 50.82 72.23 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 165.65 41.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.603 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 18.3 t0 -160.65 12.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.568 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 6.4 mtt180 -91.06 176.78 6.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.535 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 24.5 t -106.55 20.92 4.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.18 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.535 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 30.25 86.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.566 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -49.61 -35.99 22.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.92 59.21 8.98 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.64 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.5 OUTLIER -91.55 140.79 25.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.985 -179.976 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.06 -4.83 15.97 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -123.63 12.99 9.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.619 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.56 125.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.801 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.03 155.55 12.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.981 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.57 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 47.2 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.439 1.757 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 2.8 tttt -179.49 -20.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.801 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -94.13 -45.22 7.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 110.225 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 64.0 m -54.67 -56.32 20.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.155 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -60.13 -14.17 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -90.21 -32.5 16.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.64 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.45 -25.1 31.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.462 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.76 23.88 3.54 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 60.9 m -118.92 173.92 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.53 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.9 t -117.62 130.94 56.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 50.2 t80 -94.55 119.88 33.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 111.05 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.574 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -81.89 -83.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.574 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.33 -24.29 0.13 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.509 1.13 . . . . 0.0 110.03 -179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -64.12 -43.89 93.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.276 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.899 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.1 mt -120.45 106.59 40.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.451 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -2.91 13.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.551 1.816 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.17 -7.21 65.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.912 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.782 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.34 -176.35 0.41 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 118.89 5.43 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.532 1.806 . . . . 0.0 110.998 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.506 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -91.29 28.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.995 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.67 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 11.5 t -167.45 105.22 0.53 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 108.31 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -143.45 -169.61 3.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.89 69.81 37.72 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.36 179.975 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.661 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.5 Cg_endo -75.0 -99.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.801 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -92.64 34.67 1.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 27.2 mm100 -50.55 -19.37 0.87 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.487 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -39.61 -26.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.314 -179.973 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -33.43 -60.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.482 ' OE2' HG11 ' 1' ' 19' ' ' VAL . 3.7 tt0 -142.93 17.58 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 110.346 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.3 OUTLIER -95.99 -51.42 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 108.282 -179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.446 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 4.7 t -67.76 -45.53 74.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.608 1.192 . . . . 0.0 110.442 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 111.015 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -86.76 -122.94 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.501 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 3.6 p90 -91.89 72.23 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.449 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 97.9 t -127.75 -60.86 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.387 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.475 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -67.54 3.27 4.93 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.813 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -149.49 29.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 0.741 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.544 ' O ' ' HB2' ' 1' ' 10' ' ' GLN . 0.2 OUTLIER -102.99 164.41 11.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 110.078 179.916 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.761 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -67.1 -5.4 13.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.369 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -7.55 36.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.613 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -64.39 -42.29 96.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.365 179.949 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.606 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 46.0 t -74.98 0.64 15.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 108.349 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -107.88 7.54 28.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 1.013 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.18 161.76 0.12 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.252 -179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 1.013 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 28.72 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.89 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 49.22 75.91 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 161.64 48.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.459 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 37.0 t0 -162.36 -27.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.632 ' HG2' ' CD2' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -48.21 177.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -111.19 21.84 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.41 85.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.637 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.4 t -46.53 -36.23 6.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 108.255 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.58 60.6 8.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.631 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.81 138.72 24.79 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.45 0.735 . . . . 0.0 110.967 -179.985 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.0 Cg_endo -75.01 -5.98 17.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.55 1.816 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.409 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.6 OUTLIER -122.82 15.55 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.623 179.95 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.584 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.0 p -38.67 129.41 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.372 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.552 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -168.78 152.15 5.33 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.427 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -74.99 53.59 3.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.474 1.776 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 1.6 tptt 176.7 -18.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.552 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -99.99 -45.05 5.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.367 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 51.6 m -56.06 -52.8 62.96 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.484 1.115 . . . . 0.0 108.316 179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.416 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -67.26 -4.31 10.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 33.3 t-20 -105.17 -25.47 12.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.631 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.91 -24.39 26.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.145 . . . . 0.0 110.322 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.419 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.1 23.61 2.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.533 1.146 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 58.4 m -120.55 -175.98 3.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.544 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.2 t -126.5 128.09 46.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.327 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 41.0 t80 -82.01 128.87 34.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 7.7 t70 -71.28 -98.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.571 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.2 t 91.89 -9.7 0.23 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.55 1.157 . . . . 0.0 110.057 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.43 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 5.3 mtp180 -90.32 -56.4 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.89 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -116.84 122.09 31.95 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.931 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -11.96 21.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.36 65.79 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.528 1.142 . . . . 0.0 111.075 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -104.65 170.32 6.17 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 115.85 4.41 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.548 1.815 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.567 ' HA ' ' CB ' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.74 29.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.637 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.3 t -166.57 94.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.268 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.04 -176.74 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.969 -179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.609 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.46 71.36 13.18 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.613 ' HA ' ' NE2' ' 1' ' 10' ' ' GLN . 18.0 Cg_endo -75.01 -97.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.549 1.815 . . . . 0.0 111.012 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.761 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.609 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 29.8 mm100 -52.13 -21.77 3.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.2 -26.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.234 -179.941 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.96 -67.93 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -133.38 24.21 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 2.5 t -105.78 -49.25 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.532 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 1.9 t -82.34 -45.66 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' 1' ' 58' ' ' THR . 60.4 t80 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.028 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . 0.439 ' HB3' ' CG2' ' 2' ' 4' ' ' VAL . 6.7 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.483 ' HG2' ' CD2' ' 2' ' 3' ' ' TYR . 1.3 tp10 -89.65 -136.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.331 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.769 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 9.0 p90 -68.1 63.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.981 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.541 HG23 ' N ' ' 2' ' 5' ' ' GLY . 35.5 m -118.72 -54.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.541 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -72.3 4.19 20.1 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.769 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 2.2 pp -128.82 4.23 5.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 40.9 p -75.22 -177.15 3.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.925 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.754 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -73.95 -4.0 32.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 0.3 OUTLIER -100.71 -5.24 26.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.165 . . . . 0.0 109.35 179.918 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.559 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -64.99 -39.69 93.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.369 179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.678 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 40.7 t -63.74 -8.68 11.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.301 179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -99.87 15.01 28.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.921 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.06 166.31 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 -179.964 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.921 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.92 27.01 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.041 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 48.61 66.16 1.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.1 OUTLIER 176.7 37.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -161.07 15.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.949 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 13.8 mtt180 -91.05 172.03 8.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.352 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.2 t -98.38 17.2 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.407 1.067 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.5 t0 32.26 83.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.621 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 0.5 OUTLIER -49.39 -36.03 20.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 179.926 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.34 59.62 0.79 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.555 1.16 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.792 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.8 m-85 -90.6 158.85 42.2 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.596 0.821 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -11.18 21.64 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.526 1.803 . . . . 0.0 111.074 179.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.447 ' CD2' ' HG2' ' 2' ' 30' ' ' GLU . 0.1 OUTLIER -116.58 5.99 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.551 -179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.3 p -39.69 112.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.54 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -166.39 164.23 10.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.96 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.477 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 49.8 2.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.468 1.773 . . . . 0.0 111.002 179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.73 -19.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.54 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -98.17 -44.75 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.995 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.506 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 95.6 m -54.42 -56.7 16.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 108.27 -179.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.81 -9.52 15.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.26 -37.44 16.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.471 ' HD3' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.75 -28.54 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.511 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 120.41 27.41 1.99 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.426 1.079 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.612 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 67.6 m -112.51 173.07 6.55 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 4.6 t -117.6 125.02 50.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 108.305 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 78.7 t80 -92.79 119.17 31.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 25.9 t70 -87.4 -83.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 88.22 -15.74 0.35 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -64.77 -40.77 95.81 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.504 1.128 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.933 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -122.07 109.62 33.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.426 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -5.38 16.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.53 1.805 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.3 -6.81 62.61 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.586 1.179 . . . . 0.0 110.99 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 1.041 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.4 m -120.96 -177.96 0.54 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.64 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.5 4.3 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.426 ' NE1' ' HA ' ' 2' ' 43' ' ' PRO . 0.0 OUTLIER -90.46 29.4 1.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 -179.975 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.88 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 25.3 t -170.21 111.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 108.26 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.705 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -149.91 -168.01 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.79 70.6 48.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.977 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.678 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.88 -97.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.07 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.754 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER -94.7 36.67 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.599 1.187 . . . . 0.0 109.261 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.2 mm100 -51.77 -19.56 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 11.9 pt-20 -41.44 -23.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.359 179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.51 -60.81 0.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 109.374 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -146.38 17.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -95.94 -51.46 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 108.326 -179.986 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.442 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 1.9 t -70.86 -33.46 70.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.45 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 1.9 tt0 -88.32 74.95 8.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.583 1.177 . . . . 0.0 110.331 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.562 ' N ' ' CD1' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -64.11 70.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.127 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.517 ' HA ' ' HG ' ' 1' ' 7' ' ' SER . 58.8 t -119.86 -62.05 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.462 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -73.39 10.99 5.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -144.49 14.17 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 0.737 . . . . 0.0 109.239 -179.857 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.517 ' HG ' ' HA ' ' 1' ' 4' ' ' VAL . 23.7 p -108.76 174.51 5.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.746 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -63.5 84.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.449 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.1 OUTLIER 170.87 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.615 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -58.68 -33.84 70.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.25 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.645 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 53.6 t -63.49 -7.53 7.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 108.364 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -105.45 21.38 17.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.392 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.544 HG23 ' HE ' ' 1' ' 18' ' ' ARG . 0.0 OUTLIER -42.99 167.21 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.69 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.97 4.34 4.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.699 ' HB1' HD12 ' 1' ' 42' ' ' ILE . . . 83.5 50.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.473 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 173.95 44.21 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.543 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 49.9 t0 -152.36 11.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' NH1' ' CG1' ' 1' ' 45' ' ' VAL . 5.4 mtt180 -92.08 173.12 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.3 20.79 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.45 86.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.558 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -46.94 -34.08 5.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.354 179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.6 60.87 5.54 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.646 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -92.34 143.44 27.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.452 0.737 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -7.74 19.43 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.466 1.771 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.33 15.24 10.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.586 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.6 p -40.03 125.66 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.545 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.08 155.47 7.75 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.427 -179.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.579 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 54.02 3.49 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.512 1.796 . . . . 0.0 111.087 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.44 -19.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.448 1.092 . . . . 0.0 109.345 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.545 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -99.15 -44.62 6.2 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.45 1.094 . . . . 0.0 110.274 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.2 m -55.51 -52.45 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.397 1.061 . . . . 0.0 108.246 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.43 -2.38 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 -179.952 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 13.7 t30 -101.68 -32.54 10.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.94 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.646 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -82.04 -23.97 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.342 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.41 25.22 2.72 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -116.62 178.99 4.14 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -124.15 125.65 44.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 57.9 t80 -90.11 121.84 32.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 0.0 111.057 179.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 19.5 t70 -89.88 -82.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.9 OUTLIER 89.87 -20.35 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 -179.987 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.409 ' N ' ' OD2' ' 1' ' 39' ' ' ASP . 7.1 mtp180 -51.68 -55.91 16.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.699 HD12 ' HB1' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -115.65 126.57 27.59 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.264 -179.937 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -12.29 21.44 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.66 -8.14 62.5 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -106.82 169.4 6.84 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 0.746 . . . . 0.0 109.313 -179.929 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.08 110.35 3.1 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.468 1.773 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.439 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.89 30.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.016 179.96 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.586 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 12.2 t -168.56 102.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 108.334 179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -144.83 -172.06 3.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 111.048 -179.975 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.35 71.97 26.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.65 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.4 Cg_endo -74.99 -98.53 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.436 1.756 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.746 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.6 OUTLIER -93.74 32.61 1.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.388 179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.6 mm-40 -51.4 -19.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.212 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.09 -27.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.381 179.954 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -36.56 -74.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.128 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -127.21 24.14 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.2 t -105.54 -53.07 2.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.235 -179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.447 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -82.8 -33.41 27.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.472 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 50.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.58 -127.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' 2' ' 7' ' ' SER . 4.2 p90 -90.52 77.18 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.529 HG23 ' H ' ' 2' ' 5' ' ' GLY . 16.4 m -131.87 -57.08 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.712 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -69.42 5.53 5.33 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.713 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -154.0 21.36 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 179.915 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' 2' ' 3' ' ' TYR . 2.4 t -108.63 149.57 28.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.025 179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.581 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -60.8 86.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.36 -26.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.077 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.552 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -59.32 -30.45 68.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.98 ' HB2' HD23 ' 2' ' 52' ' ' LEU . 2.5 m -64.85 -9.55 21.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 108.284 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.46 18.42 14.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.935 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -44.62 167.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.935 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.5 Cg_endo -74.91 27.25 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.534 1.808 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.01 ' HB3' HD12 ' 2' ' 42' ' ' ILE . . . 45.22 63.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 176.53 36.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.2 t0 -160.68 15.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.679 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.4 mtt180 -89.13 -179.99 6.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.5 t -112.09 19.84 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 33.41 90.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -53.92 -33.33 56.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 108.256 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.44 50.85 58.19 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.572 1.17 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.415 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -84.09 138.26 39.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -7.12 18.84 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -121.41 19.27 11.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.639 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.674 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.4 p -38.41 118.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.592 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -166.75 151.63 7.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.429 -179.927 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.11 50.12 2.47 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.579 1.831 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 9.6 tttt -174.83 -23.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.592 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -96.65 -43.21 7.66 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.942 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.7 m -61.96 -56.1 22.63 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.408 1.068 . . . . 0.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.6 -5.28 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 17.6 t30 -102.97 -29.41 11.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.472 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -87.49 -32.63 19.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.353 -179.997 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.541 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 130.69 22.4 1.05 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.557 1.16 . . . . 0.0 110.976 179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 62.6 m -123.1 161.67 23.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.954 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.575 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -109.66 125.59 52.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.669 ' HE1' HG22 ' 2' ' 26' ' ' VAL . 34.3 t80 -89.38 120.58 30.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -80.02 -84.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.15 -22.71 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.966 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -67.39 -41.04 85.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 1.01 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 1.3 mt -120.76 106.72 39.15 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.95 -4.89 16.09 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.81 -6.85 65.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.425 1.078 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.875 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.7 -175.41 0.34 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.424 0.72 . . . . 0.0 109.319 179.947 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.599 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.0 120.95 6.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.024 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.674 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.42 26.47 2.59 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 -179.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.644 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 17.2 t -169.84 101.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 108.348 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.703 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.67 -168.51 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.594 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.83 67.54 60.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.945 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.836 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -74.94 -97.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.472 1.775 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.98 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -95.23 36.35 1.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.594 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -44.58 -23.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.571 ' HG3' HD12 ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -36.5 -27.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.09 -64.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -139.63 13.62 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.51 -56.63 3.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 108.327 179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.475 ' O ' ' C ' ' 2' ' 59' ' ' PHE . 13.7 t -69.99 -41.14 74.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.442 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.475 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.594 1.184 . . . . 0.0 111.049 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.475 ' CG ' ' O ' ' 1' ' 2' ' ' GLU . 2.9 pt-20 -89.71 80.83 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' 1' ' 7' ' ' SER . 2.5 m-85 -65.68 66.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 67.0 t -127.09 -56.15 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' 1' ' 10' ' ' GLN . . . -70.27 1.2 20.38 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.76 15.03 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.295 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.502 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 7.6 t -108.01 -159.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.715 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -59.16 82.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 166.44 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.543 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -60.6 -33.04 72.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.703 ' HB3' HD23 ' 1' ' 52' ' ' LEU . 43.0 t -66.51 -5.77 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 108.249 -179.909 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -105.92 11.2 32.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.826 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.5 OUTLIER -46.94 164.39 0.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.92 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.826 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.94 28.21 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.466 1.771 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.035 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 49.14 62.67 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' 1' ' 14' ' ' PRO . 0.0 OUTLIER -177.52 34.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.999 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.478 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 31.4 t0 -159.44 16.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.82 170.63 9.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.196 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.623 HG12 ' O ' ' 1' ' 19' ' ' VAL . 89.3 t -99.6 18.48 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 31.8 88.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -52.55 -34.12 48.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 108.254 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.18 60.22 2.0 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.554 1.159 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.658 ' CE2' ' HD3' ' 1' ' 34' ' ' ARG . 1.2 m-85 -91.92 156.55 42.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.073 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.93 19.19 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.504 1.791 . . . . 0.0 111.065 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.434 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 1.3 m170 -109.81 9.78 24.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.618 179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.834 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -38.2 114.49 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.631 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -166.76 155.33 9.47 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.608 ' HB3' ' CD1' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -74.93 55.19 3.83 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.423 1.749 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.75 -24.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.631 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.7 OUTLIER -97.05 -40.6 8.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.565 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 64.6 m -61.39 -54.45 43.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 108.355 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m-80 -70.52 4.15 2.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 26.2 t30 -107.35 -32.04 7.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.093 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.658 ' HD3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -88.66 -33.15 17.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.258 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 133.89 24.17 0.67 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.472 ' C ' ' OE1' ' 1' ' 53' ' ' GLN . 60.8 m -116.6 166.81 11.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.527 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 1.9 t -116.3 123.38 47.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.608 ' CD1' ' HB3' ' 1' ' 28' ' ' PRO . 36.1 t80 -93.22 121.27 34.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.044 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 17.6 t70 -86.55 -82.48 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 87.94 -16.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.054 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -63.28 -42.84 99.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.974 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -121.78 111.82 32.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 109.25 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.02 -4.42 15.37 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.624 1.855 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.47 -6.3 61.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.035 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.4 m -120.04 -178.05 0.53 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.558 0.799 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.649 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 115.99 4.46 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.596 1.84 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.43 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -90.14 28.5 1.4 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.519 1.137 . . . . 0.0 108.016 179.948 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.834 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 38.8 t -171.44 110.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.299 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.0 -169.07 3.24 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.965 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.15 70.51 21.01 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.354 179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.633 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.98 -101.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 -179.943 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -91.94 35.49 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.6 mm-40 -55.0 -26.43 36.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.15 . . . . 0.0 110.282 -179.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.464 ' HB3' ' CB ' ' 2' ' 58' ' ' THR . 0.0 OUTLIER -38.9 -29.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.93 -62.01 0.68 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.27 15.7 7.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 41.5 t -91.34 -81.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.503 ' CB ' ' HG3' ' 2' ' 54' ' ' GLU . 1.1 t -53.85 -34.22 58.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.45 ' C ' ' O ' ' 1' ' 58' ' ' THR . 44.4 t80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' 2' ' 4' ' ' VAL . 0.5 OUTLIER -90.44 -134.77 0.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.759 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -63.9 71.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.395 1.06 . . . . 0.0 110.962 -179.958 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' 2' ' 2' ' ' GLU . 77.8 t -127.43 -53.24 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.413 ' O ' ' OE1' ' 2' ' 10' ' ' GLN . . . -70.11 -1.33 33.31 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.962 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.766 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -131.08 9.56 4.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.767 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.459 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.3 OUTLIER -105.88 -164.33 1.01 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.92 -179.959 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.742 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -57.62 86.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' 2' ' 7' ' ' SER . 2.8 t-20 165.25 -29.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.537 HE21 ' C ' ' 2' ' 51' ' ' PRO . 20.9 tt0 -64.28 -32.54 74.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.749 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 52.2 t -67.15 -2.35 5.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.343 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.493 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -119.18 10.64 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.922 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -41.38 166.83 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.922 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 27.52 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.563 1.823 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.92 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 49.6 71.2 0.41 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 -179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.453 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 167.86 41.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.457 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 18.3 t70 -163.57 13.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 16.8 mtt180 -91.09 169.4 10.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.5 t -95.31 15.25 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.389 179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.482 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.63 80.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.603 1.189 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.698 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 5.6 t -44.31 -39.58 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 108.297 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 42.15 61.4 2.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.704 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -91.55 153.28 44.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.426 0.721 . . . . 0.0 110.943 -179.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -5.62 17.04 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -124.54 8.78 8.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.549 -179.923 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.844 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -38.17 116.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.533 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.98 162.57 9.34 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.17 . . . . 0.0 110.43 179.978 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.476 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.04 49.47 2.28 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.482 1.78 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.1 OUTLIER -179.28 -18.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.538 1.148 . . . . 0.0 109.362 179.954 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.533 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -99.13 -44.83 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.983 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.9 m -56.36 -57.48 12.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 1.194 . . . . 0.0 108.278 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -60.32 -13.14 11.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.221 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 10.5 t30 -89.62 -34.17 16.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.436 ' HA ' ' OH ' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.25 -25.87 29.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.974 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.454 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 116.86 25.02 3.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.6 m -115.43 170.07 8.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.3 t -114.58 128.33 56.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 108.323 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 73.0 t80 -94.62 117.36 30.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.9 t70 -84.47 -82.19 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.584 1.178 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.542 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 2.1 t 88.03 -15.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -42.67 96.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.175 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.92 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.96 110.98 32.74 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.233 -179.979 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.407 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.05 -5.84 17.28 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.572 1.827 . . . . 0.0 110.973 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.42 -5.96 64.8 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.567 1.167 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.747 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.5 m -121.34 -178.54 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 0.776 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.639 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.9 117.31 4.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.58 1.832 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -92.65 29.43 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 107.949 -179.986 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.844 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 22.1 t -169.99 106.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 108.333 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.728 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.2 OUTLIER -147.54 -168.56 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.518 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -119.7 70.13 13.11 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.688 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -75.04 -96.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.749 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -101.47 41.89 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.547 ' OE1' ' HD2' ' 2' ' 51' ' ' PRO . 19.5 mm100 -49.14 -18.88 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 110.36 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.903 ' O ' HG22 ' 2' ' 58' ' ' THR . 8.4 mt-10 -43.34 -23.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -39.61 -82.8 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -113.9 13.78 18.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.44 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -91.57 -68.99 0.76 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.506 1.129 . . . . 0.0 108.313 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.903 HG22 ' O ' ' 2' ' 54' ' ' GLU . 15.0 t -53.08 -31.25 40.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.444 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.475 ' C ' ' NE2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -67.25 68.55 0.08 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.593 1.183 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.455 ' N ' ' O ' ' 1' ' 1' ' ' GLU . 18.4 m-85 -76.25 91.23 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.717 HG23 ' H ' ' 1' ' 5' ' ' GLY . 6.0 m -130.28 -63.8 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.717 ' H ' HG23 ' 1' ' 4' ' ' VAL . . . -66.22 1.72 4.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.51 1.132 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.817 HD23 HG23 ' 2' ' 58' ' ' THR . 0.1 OUTLIER -153.86 33.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 -179.945 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 0.3 OUTLIER -87.97 179.79 6.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 109.972 -179.92 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.722 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -66.78 -9.55 38.2 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -94.69 -6.05 44.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.092 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.632 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -66.82 -34.75 78.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.733 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 44.9 t -74.56 -1.25 20.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 108.298 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.436 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -111.16 10.28 21.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.954 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -40.1 160.97 0.1 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.981 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.954 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.92 29.16 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.933 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 49.7 74.43 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.9 50.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.13 . . . . 0.0 109.25 179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.467 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 14.5 t70 -165.95 -25.44 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.4 mtt180 -50.38 174.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.6 t -107.84 18.3 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.9 OUTLIER 34.73 87.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -49.47 -32.63 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 108.3 179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.89 59.2 4.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.428 1.08 . . . . 0.0 111.017 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.673 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.2 OUTLIER -90.87 143.52 28.85 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.993 179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' 1' ' 23' ' ' TYR . 18.6 Cg_endo -74.94 -8.99 20.65 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -120.3 15.39 12.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.622 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -41.53 126.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.542 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.94 153.73 8.19 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.391 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.6 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.03 53.13 3.26 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.48 1.779 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.46 -17.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.542 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -101.11 -44.98 5.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.578 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 48.3 m -55.68 -51.26 67.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 108.281 -179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -69.15 -2.14 9.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 21.6 t30 -105.02 -28.92 10.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.673 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.41 -24.28 29.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.16 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.434 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 120.26 24.87 2.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.569 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -119.12 -179.61 3.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 4.0 t -125.69 125.49 43.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 -179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.6 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 59.0 t80 -92.41 120.22 32.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.531 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.7 t70 -89.31 -81.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.02 -17.2 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.658 1.224 . . . . 0.0 109.962 179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -60.54 -45.29 94.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.343 -179.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.933 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.7 OUTLIER -119.04 118.81 32.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -13.22 21.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.69 -10.15 63.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.817 HG22 ' CD ' ' 1' ' 46' ' ' PRO . 0.4 OUTLIER -109.16 173.0 3.19 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.517 0.775 . . . . 0.0 109.244 -179.923 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.817 ' CD ' HG22 ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.04 114.75 4.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.415 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -88.51 29.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 108.024 -179.978 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.63 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 19.3 t -169.35 106.05 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 108.307 -179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.725 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -147.46 -170.54 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.966 -179.96 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.64 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.17 71.69 23.46 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.976 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.2 Cg_endo -75.05 -96.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 111.059 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.733 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -93.09 32.67 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.64 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.0 mm100 -51.77 -20.57 2.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.551 ' HG2' HG22 ' 1' ' 58' ' ' THR . 2.2 tm-20 -39.02 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -34.17 -65.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.03 25.83 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 179.95 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -63.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 108.322 179.931 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.551 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -66.92 -42.26 85.68 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 110.412 -179.98 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.462 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.1 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.603 1.189 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -76.5 -119.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.66 62.87 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.535 HG23 ' N ' ' 2' ' 5' ' ' GLY . 33.4 m -119.65 -53.27 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.158 . . . . 0.0 109.359 -179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.643 ' C ' HD23 ' 2' ' 6' ' ' LEU . . . -71.79 5.23 12.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.877 ' N ' HD23 ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -131.28 -2.34 3.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' 2' ' 10' ' ' GLN . 39.1 p -107.99 -160.64 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.073 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.761 ' O ' ' CB ' ' 2' ' 9' ' ' ASN . . . -56.11 125.6 22.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.761 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 0.9 OUTLIER 114.0 -30.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.516 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -57.36 -39.42 75.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.956 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.845 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 24.9 t -62.73 -6.47 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.32 179.983 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -98.93 14.07 30.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.926 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -41.11 160.55 0.14 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.926 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.02 29.27 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.453 1.765 . . . . 0.0 110.934 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.917 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 49.75 75.42 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 162.99 49.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.413 1.07 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.493 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 11.4 t70 -165.08 -26.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.667 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 14.7 mtt180 -47.9 178.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.516 HG12 ' O ' ' 2' ' 19' ' ' VAL . 23.4 t -115.29 21.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' O ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.15 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.555 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -54.19 -34.36 60.36 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 108.306 -179.994 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 56.53 23.62 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.404 ' CE2' ' HG2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.55 141.25 27.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.47 0.747 . . . . 0.0 111.016 179.973 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -11.39 21.43 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.532 1.806 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.45 31.43 5.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.637 179.943 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.699 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.1 p -51.43 120.01 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.593 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -168.72 154.97 6.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.592 1.183 . . . . 0.0 110.414 179.966 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 50.8 2.63 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.488 1.783 . . . . 0.0 110.975 -179.907 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -174.26 -22.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.354 179.971 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.593 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -99.04 -45.6 5.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 12.6 m -62.95 -54.31 40.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 108.335 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -65.96 -4.65 7.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 16.9 t30 -104.3 -29.4 10.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.461 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.14 -34.01 19.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 130.52 26.48 0.8 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 179.96 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.5 m -120.8 170.23 9.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 2.2 t -117.74 127.31 53.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.415 1.072 . . . . 0.0 108.362 -179.987 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.6 t80 -98.55 117.33 32.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.529 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 23.3 t70 -84.66 -80.02 0.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.537 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 87.97 -18.29 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.975 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -58.27 -50.73 72.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.228 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.755 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -116.66 124.39 29.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.957 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -14.76 21.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.793 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.68 -10.0 67.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.917 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -106.21 169.96 6.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.894 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.05 115.81 4.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.547 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.01 28.51 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 108.036 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.699 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 19.3 t -171.03 102.23 0.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 108.355 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.682 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.84 -172.98 3.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.945 -179.908 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -120.87 68.48 16.23 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.352 179.933 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.98 -109.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.445 1.761 . . . . 0.0 111.041 179.991 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.96 HD22 ' O ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.13 38.9 0.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.504 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 39.6 mm-40 -50.6 -20.88 1.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.515 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.0 OUTLIER -40.85 -23.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.61 -66.44 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -140.24 15.57 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -92.43 -56.94 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 108.317 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.817 HG23 HD23 ' 1' ' 6' ' ' LEU . 6.4 t -66.37 -42.28 88.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 -179.904 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 11.6 pm0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.8 41.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -89.37 81.44 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -122.01 -52.01 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.445 ' O ' ' OE1' ' 1' ' 10' ' ' GLN . . . -69.81 -1.58 32.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.669 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -131.11 13.24 5.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 179.93 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.538 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 98.6 p -107.0 -167.65 1.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.994 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.825 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -55.53 83.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 169.04 -33.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' 1' ' 6' ' ' LEU . 16.5 tt0 -64.35 -31.73 73.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.811 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 40.4 t -66.28 -5.52 10.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 108.249 -179.969 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -109.92 12.71 23.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.341 179.948 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.908 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -40.17 162.53 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.979 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.908 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -75.0 29.1 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.044 179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.971 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 49.81 73.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.268 179.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.4 50.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.239 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.474 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 22.2 t0 -165.71 -27.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.9 mtt180 -49.04 175.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.651 HG12 ' O ' ' 1' ' 19' ' ' VAL . 84.2 t -108.06 17.89 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 34.12 88.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.931 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.559 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.06 -36.58 29.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.586 1.179 . . . . 0.0 108.275 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.01 61.65 5.98 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.622 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -92.46 141.28 24.58 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.933 -179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -3.75 14.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.488 1.783 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -127.55 17.91 6.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.606 179.946 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.576 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -41.75 128.78 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.693 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.88 153.68 8.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.5 Cg_endo -75.0 52.4 3.04 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.92 -20.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.693 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -96.6 -44.08 7.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 110.341 179.924 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 52.9 m -56.47 -51.3 68.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 1.163 . . . . 0.0 108.252 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.431 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -68.75 -2.77 10.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.897 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.7 t-20 -104.53 -28.62 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.11 -24.84 30.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.4 25.12 2.5 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.962 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 28.2 m -120.49 -179.41 3.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -179.95 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.528 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -125.57 125.27 42.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.585 1.178 . . . . 0.0 108.282 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 60.7 t80 -91.38 121.36 33.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 18.7 t70 -90.32 -82.37 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.569 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 88.65 -17.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.971 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.65 119.0 30.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -13.22 21.42 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.421 1.748 . . . . 0.0 111.009 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.62 -9.84 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.806 HG22 ' CD ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER -109.59 172.93 3.23 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.498 0.764 . . . . 0.0 109.259 179.968 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.806 ' CD ' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.06 114.43 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.453 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -88.88 30.2 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 107.977 -179.974 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.2 t -169.85 103.84 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.284 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.699 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -144.73 -170.95 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.94 70.38 14.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.676 ' HG3' ' CE2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.99 -97.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.825 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -92.78 32.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.639 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 43.4 mm-40 -54.74 -20.78 9.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.145 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -40.8 -26.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -38.16 -70.69 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -128.36 23.93 5.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 4.5 t -104.23 -55.28 2.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.424 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.1 t -86.54 -37.62 18.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.424 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' 2' ' 2' ' ' GLU . 2.0 pt-20 -90.01 72.63 7.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.414 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -91.78 72.44 5.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.941 -179.93 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.642 HG23 ' H ' ' 2' ' 5' ' ' GLY . 11.2 m -130.21 -60.28 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.891 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -67.62 6.0 2.9 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.527 1.142 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.891 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -155.93 32.11 0.35 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 0.798 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.565 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 0.1 OUTLIER -105.29 175.83 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.029 -179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.663 ' HA ' HD23 ' 2' ' 52' ' ' LEU . . . -70.41 -3.87 19.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.569 ' ND2' ' HB3' ' 2' ' 12' ' ' ALA . 11.0 t-20 -102.08 0.43 34.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.565 ' HB2' ' O ' ' 2' ' 7' ' ' SER . 0.0 OUTLIER -64.23 -43.02 96.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.962 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.929 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 46.4 t -70.93 -2.09 14.03 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.512 1.133 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.569 ' HB3' ' ND2' ' 2' ' 9' ' ' ASN . . . -108.44 18.5 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.522 HG13 ' O ' ' 2' ' 10' ' ' GLN . 0.0 OUTLIER -43.33 165.81 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.723 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.2 Cg_endo -75.02 2.21 6.89 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.574 1.829 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' 2' ' 14' ' ' PRO . . . 86.65 49.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.486 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER 174.86 45.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.508 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 52.9 t0 -153.82 11.53 0.43 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 109.235 179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.684 ' NH1' ' CZ ' ' 2' ' 49' ' ' PHE . 6.2 mtt180 -91.09 177.89 6.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.926 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.512 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 17.5 t -112.97 24.09 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.092 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.512 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.91 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.611 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 1.8 t -48.77 -34.86 13.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 108.307 179.975 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.05 57.02 21.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 179.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -90.13 138.1 27.59 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.09 -4.87 16.02 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.493 1.786 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -124.14 19.95 9.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.596 179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.66 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.7 p -41.79 122.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.6 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -169.08 154.8 6.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.428 179.972 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 48.89 2.1 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.453 1.765 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.8 tttp -176.22 -18.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.6 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mp0 -99.92 -43.99 6.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.596 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 80.6 m -61.75 -57.17 12.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.336 179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -65.56 -3.32 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.3 t30 -103.63 -29.68 10.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.478 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -87.86 -31.99 19.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 129.01 24.56 1.05 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.903 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.1 m -120.6 169.47 10.33 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.5 OUTLIER -111.87 133.69 53.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.271 -179.925 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.5 t80 -88.62 124.24 33.87 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 8.1 t70 -61.52 -99.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.556 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 2.0 t 90.46 -8.85 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . 0.411 ' H ' ' CG ' ' 2' ' 39' ' ' ASP . 3.5 mtp180 -91.41 -58.09 2.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.634 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -119.63 125.99 27.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.951 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -8.22 19.96 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.431 1.753 . . . . 0.0 111.023 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.07 -7.71 60.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.453 1.096 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.804 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER -103.76 172.51 4.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 179.986 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.804 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.495 1.787 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.66 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.96 31.43 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 108.045 179.977 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.611 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 3.2 t -173.72 96.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.556 1.16 . . . . 0.0 108.203 179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.702 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -135.85 -175.97 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.927 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -122.75 69.5 35.51 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.697 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.3 Cg_endo -74.95 -100.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.033 180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.929 HD12 ' HB2' ' 2' ' 11' ' ' CYS . 0.0 OUTLIER -99.6 36.37 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 37.4 mm-40 -47.26 -22.83 0.45 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.2 OUTLIER -35.8 -28.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.49 -61.21 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.78 15.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.485 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -89.93 -58.52 2.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.077 . . . . 0.0 108.322 -179.991 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.431 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 6.8 t -71.16 -36.51 72.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.153 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.593 1.183 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 4.6 tt0 -91.37 83.31 5.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -63.79 71.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 97.7 t -131.01 -53.6 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.23 -179.956 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.925 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -60.25 -11.59 20.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.423 1.077 . . . . 0.0 111.048 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.925 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -135.03 29.23 3.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.673 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 1.1 p -111.07 151.05 28.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.051 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.759 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . 33.91 -87.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.673 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.4 OUTLIER -39.83 -24.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.255 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.742 ' HB2' ' HA ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -54.88 -50.42 68.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.593 1.183 . . . . 0.0 110.351 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.797 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 14.4 t -64.9 -4.31 4.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 108.35 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -104.1 21.36 16.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.612 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -42.64 167.64 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.665 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.91 5.82 3.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.066 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 81.59 46.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.448 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER -179.87 44.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.914 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.612 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 29.5 t70 -154.69 11.35 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.572 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 4.8 mtt180 -92.18 175.06 7.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.359 179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.7 t -107.99 20.72 4.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.2 OUTLIER 33.78 92.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.247 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.4 OUTLIER -53.24 -34.5 57.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.382 1.051 . . . . 0.0 108.291 179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.69 54.62 35.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.429 ' HA ' ' HD3' ' 1' ' 24' ' ' PRO . 0.1 OUTLIER -90.22 139.37 27.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.949 -179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.93 -6.85 18.62 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.531 1.806 . . . . 0.0 111.051 179.936 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -128.6 37.83 4.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.574 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.2 p -56.15 120.19 2.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.435 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -168.1 152.97 6.43 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.406 -179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.589 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.05 58.58 4.97 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.515 1.798 . . . . 0.0 110.933 -179.965 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 4.4 ttmt 178.92 -25.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.27 179.926 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' 1' ' 34' ' ' ARG . 1.5 mt-10 -98.62 -45.62 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.102 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.545 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.6 m -63.4 -54.86 30.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.357 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -64.9 -5.12 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 22.8 t30 -106.11 -27.26 11.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.506 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -85.62 -30.18 23.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 110.314 179.976 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.43 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.99 23.33 1.31 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 0.0 111.046 179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 64.3 m -120.28 177.25 5.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.546 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.2 t -123.36 127.81 49.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.203 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.589 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 47.1 t80 -91.58 120.52 32.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.585 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -81.95 -83.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.585 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 85.03 -23.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.932 179.949 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -64.58 -43.42 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.377 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.876 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.01 109.85 35.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.082 . . . . 0.0 109.251 179.954 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.68 15.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.53 -3.45 62.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.066 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -120.47 -176.99 0.43 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.602 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.96 119.24 5.57 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.562 1.822 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.541 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -91.12 25.97 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.955 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.665 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 37.1 t -168.62 104.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 108.266 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.65 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.6 -171.16 3.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.959 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.614 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.19 69.33 29.52 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.644 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -75.04 -104.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.442 1.759 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.797 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -86.48 31.83 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.614 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 35.1 mm-40 -51.73 -18.8 1.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.457 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -41.57 -25.53 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.451 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.91 -67.77 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -131.24 23.65 4.84 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.264 179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.416 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 3.0 t -103.82 -53.51 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.457 HG22 ' O ' ' 1' ' 54' ' ' GLU . 3.0 t -68.35 -42.7 78.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.404 179.976 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' 1' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.564 ' O ' HD11 ' 2' ' 6' ' ' LEU . 45.2 mt-10 -90.24 71.45 7.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.7 63.38 5.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -121.45 -56.47 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.412 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -70.37 5.77 6.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.435 1.085 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.709 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -144.61 25.5 1.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' 2' ' 52' ' ' LEU . 0.3 OUTLIER -100.78 171.2 7.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.01 -179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.699 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -72.28 -4.35 29.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.47 -6.7 36.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.52 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -67.05 -34.58 78.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.76 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 41.5 t -73.77 -0.51 15.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 108.362 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' 2' ' 13' ' ' VAL . . . -108.29 10.29 27.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.836 HG13 ' HD2' ' 2' ' 14' ' ' PRO . 1.3 t -38.11 152.02 0.16 Allowed Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.446 1.091 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.836 ' HD2' HG13 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 38.92 0.55 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.893 ' HB1' HG11 ' 2' ' 45' ' ' VAL . . . 47.61 65.93 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.25 43.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 179.991 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.511 ' HB3' ' CG2' ' 2' ' 13' ' ' VAL . 19.3 t0 -161.85 11.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 2.9 mtt180 -92.15 176.37 6.52 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.575 HG12 ' O ' ' 2' ' 19' ' ' VAL . 47.2 t -108.36 18.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.938 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.7 OUTLIER 34.02 89.68 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 179.978 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.51 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.88 -33.36 61.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 179.966 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 54.18 56.92 18.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.437 1.086 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.429 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.45 141.6 27.49 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 0.782 . . . . 0.0 111.016 179.923 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.3 Cg_endo -75.06 -8.08 19.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.58 32.11 5.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 179.945 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.746 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.3 p -51.91 117.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.594 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.31 155.6 8.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.928 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 50.8 2.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.779 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.425 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 3.3 ttpt -174.38 -23.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.594 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -98.1 -45.98 6.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.423 1.077 . . . . 0.0 110.325 179.927 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 9.8 m -63.31 -56.84 13.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.087 . . . . 0.0 108.31 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.68 -6.71 3.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 19.8 t30 -103.72 -27.75 12.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.498 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.2 -25.88 21.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.415 1.072 . . . . 0.0 110.256 -179.986 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.501 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.67 22.56 2.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.57 1.169 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.554 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.0 m -120.3 166.57 13.32 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.486 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 2.8 t -114.64 126.29 54.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.451 1.095 . . . . 0.0 108.306 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 52.3 t80 -92.31 119.97 32.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 33.8 t70 -85.3 -82.17 0.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.528 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 85.33 -13.04 0.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.979 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -44.31 80.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.856 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.1 mt -122.51 111.28 31.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.433 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.3 Cg_endo -74.96 -4.29 15.19 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.458 1.767 . . . . 0.0 111.065 179.934 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.6 -6.39 64.11 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.893 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -122.13 -176.46 0.42 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.617 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 118.58 5.32 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.799 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.507 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -93.21 28.13 2.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.746 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 48.9 t -169.2 110.01 0.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.629 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -147.22 -167.71 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.987 -179.998 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.3 70.16 42.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.629 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.1 Cg_endo -74.97 -94.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.76 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -98.91 38.17 1.42 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.24 -179.957 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.579 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -50.78 -19.52 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.402 1.064 . . . . 0.0 110.348 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.577 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.8 OUTLIER -41.35 -24.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.56 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -27.96 -72.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -135.02 10.35 3.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.1 -59.04 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 108.298 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.5 t -48.77 -40.98 30.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.443 179.962 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 51' ' ' PRO . 5.9 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . 0.549 ' HB2' ' CE2' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -89.28 59.13 4.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.549 ' CE2' ' HB2' ' 1' ' 1' ' ' GLU . 0.4 OUTLIER -92.0 101.09 13.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.5 HG23 ' N ' ' 1' ' 5' ' ' GLY . 33.1 m -113.22 -52.01 5.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.954 ' C ' HD13 ' 1' ' 6' ' ' LEU . . . -70.97 1.9 21.28 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.954 HD13 ' C ' ' 1' ' 5' ' ' GLY . 0.0 OUTLIER -131.88 13.52 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.74 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.485 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 39.3 p -106.55 -169.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.014 -179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.945 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -57.25 85.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.1 OUTLIER 166.21 -32.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.517 ' CG ' ' O ' ' 1' ' 5' ' ' GLY . 8.7 tt0 -63.86 -34.59 78.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 110.334 179.94 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.634 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 43.4 t -63.14 -5.48 3.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 108.312 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -102.99 18.18 22.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.544 ' CG1' ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -43.78 167.59 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.709 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.4 Cg_endo -74.98 2.82 6.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.572 1.827 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.797 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 85.36 47.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.085 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.47 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 176.54 43.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.544 ' HB3' ' CG1' ' 1' ' 13' ' ' VAL . 31.3 t70 -151.13 11.78 0.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 109.317 -179.947 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.608 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 3.9 mtt180 -92.11 -178.36 4.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.508 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.5 t -112.82 21.82 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.508 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.33 88.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.0 OUTLIER -50.19 -33.51 19.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 108.247 179.997 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.74 54.01 37.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.578 1.174 . . . . 0.0 111.009 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.531 ' CE1' ' HD3' ' 1' ' 34' ' ' ARG . 0.1 OUTLIER -88.88 137.88 29.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.738 . . . . 0.0 110.936 -179.989 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.01 -4.96 16.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -129.4 37.89 3.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.641 HG21 ' HE3' ' 1' ' 47' ' ' TRP . 1.4 p -56.94 123.48 8.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.55 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -167.49 150.95 5.99 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.445 179.972 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -75.0 55.19 3.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.572 1.827 . . . . 0.0 111.044 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 10.9 tttt 179.54 -23.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.55 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -97.36 -45.35 6.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.987 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.557 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.4 m -63.12 -56.38 17.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.238 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -63.29 -6.26 4.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.361 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' 1' ' 31' ' ' CYS . 23.4 t30 -106.34 -24.99 12.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.544 ' NE ' ' SG ' ' 1' ' 36' ' ' CYS . 0.0 OUTLIER -88.0 -27.82 21.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.128 . . . . 0.0 110.314 -179.969 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' N ' ' HG3' ' 1' ' 34' ' ' ARG . . . 125.75 23.18 1.7 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.544 ' SG ' ' NE ' ' 1' ' 34' ' ' ARG . 83.5 m -120.39 178.16 4.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 12.0 t -123.85 127.67 48.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' 1' ' 28' ' ' PRO . 40.7 t80 -87.93 124.44 33.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' 1' ' 47' ' ' TRP . 36.6 t0 -79.24 -88.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 2.3 t 87.61 -24.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 110.017 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.405 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 18.4 mtp180 -71.77 -44.42 64.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.204 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.797 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -120.2 105.92 41.49 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.949 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -4.55 15.57 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.445 1.761 . . . . 0.0 110.993 -179.952 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.69 -3.72 64.21 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 179.96 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.765 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.2 -175.72 0.37 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.232 -179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.591 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 121.34 6.53 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.641 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -93.98 28.09 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 23.7 t -166.49 101.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 108.364 -179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.71 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.15 -170.14 2.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.75 67.14 39.67 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.642 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -74.97 -94.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.055 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.945 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.0 OUTLIER -88.68 26.23 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.256 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.639 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 71.9 mm-40 -57.41 -26.28 60.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.434 1.084 . . . . 0.0 110.31 179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.483 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 1.5 pp20? -40.29 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 110.274 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.532 ' O ' ' CD1' ' 1' ' 59' ' ' PHE . . . -46.64 -88.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -97.92 20.17 12.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 6.2 t -106.9 -62.29 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.494 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -92.45 -4.65 53.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.4 179.992 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.801 ' O ' HG21 ' 2' ' 19' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 111.069 179.938 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . 0.418 ' CG ' ' H ' ' 2' ' 3' ' ' TYR . 0.3 OUTLIER -90.0 -130.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.978 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.418 ' H ' ' CG ' ' 2' ' 2' ' ' GLU . 47.5 m-85 -79.51 79.66 5.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 71.7 t -123.57 -57.91 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.963 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -63.96 -6.72 19.77 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.554 1.158 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.963 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -138.34 31.0 2.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 109.253 -179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.476 ' O ' ' CB ' ' 2' ' 52' ' ' LEU . 0.4 OUTLIER -97.03 -156.51 0.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.115 179.944 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.742 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -74.76 5.8 4.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.16 . . . . 0.0 109.383 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' 2' ' 7' ' ' SER . 0.4 OUTLIER -105.21 -8.82 18.1 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.596 HE21 ' C ' ' 2' ' 51' ' ' PRO . 17.5 tt0 -67.73 -31.87 72.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.223 -179.906 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' 2' ' 37' ' ' CYS . 2.8 m -61.07 -11.09 7.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 108.363 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.478 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -116.7 21.89 13.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.869 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -41.54 166.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.869 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -74.96 26.5 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.567 1.825 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.043 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 47.29 70.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 163.84 42.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.925 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -164.53 13.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 20.4 mtt180 -91.31 179.77 5.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.801 HG21 ' O ' ' 1' ' 59' ' ' PHE . 25.5 t -108.11 16.79 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.505 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER 34.81 84.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.998 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.651 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 3.2 t -49.15 -36.63 19.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.919 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 44.31 61.0 3.37 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.466 1.104 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.653 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -91.2 148.67 38.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.782 . . . . 0.0 110.964 180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.4 Cg_endo -74.89 -4.16 14.99 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 15.3 m-70 -126.47 12.25 7.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.584 -179.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.833 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.4 p -39.13 115.54 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.418 1.073 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.517 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -164.42 160.11 15.97 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.979 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.03 48.46 2.01 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.424 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 15.7 tttt -177.74 -16.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.517 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.3 OUTLIER -101.11 -44.24 5.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 110.23 -179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.536 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 83.1 m -57.87 -56.33 23.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 108.209 -179.88 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -61.31 -12.56 14.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.469 ' O ' ' NH1' ' 1' ' 34' ' ' ARG . 36.0 t-20 -93.72 -29.61 15.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.458 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -87.06 -26.08 23.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.995 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.483 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 117.66 26.81 2.73 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 73.6 m -122.57 166.1 15.38 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 1.281 ' SG ' ' SG ' ' 2' ' 11' ' ' CYS . 0.5 OUTLIER -112.32 122.02 46.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 108.277 -179.957 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 52.5 t80 -87.24 122.63 31.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 28.0 t70 -89.99 -81.62 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.61 1.194 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 86.18 -14.14 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.033 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -66.05 -41.38 90.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 1.043 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -122.84 110.62 31.46 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.975 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.452 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.04 -5.3 16.6 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.88 -8.02 65.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.053 179.975 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.819 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.1 m -121.62 -177.26 0.48 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 109.371 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -74.95 117.5 4.94 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.544 ' O ' ' CD1' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -91.04 27.88 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.917 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.833 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 35.1 t -171.43 101.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 108.291 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.749 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -138.64 -167.22 2.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.966 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.589 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.44 67.77 19.71 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.809 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -96.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.5 1.789 . . . . 0.0 111.013 -179.998 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.882 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -95.19 42.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.589 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 26.6 mm100 -59.57 -21.61 60.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.48 1.113 . . . . 0.0 110.245 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 45.8 mt-10 -48.67 -22.41 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.479 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -33.22 -59.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' 1' ' 50' ' ' LYS . 14.7 mt-10 -152.02 22.41 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.574 1.171 . . . . 0.0 110.261 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -105.07 -65.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 108.288 -179.974 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.502 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 0.8 OUTLIER -56.78 -52.34 65.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 179.98 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.502 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.151 . . . . 0.0 111.092 179.916 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.475 ' O ' HG13 ' 1' ' 4' ' ' VAL . 0.0 OUTLIER -83.59 73.89 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.966 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -54.29 86.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 1.18 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.545 HG23 ' N ' ' 1' ' 5' ' ' GLY . 34.8 m -113.29 -54.35 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.545 ' N ' HG23 ' 1' ' 4' ' ' VAL . . . -71.83 3.69 18.75 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.519 1.137 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.822 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -137.84 16.65 2.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 0.759 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.91 -168.32 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.964 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.988 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -66.09 89.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.653 ' HB2' ' O ' ' 1' ' 8' ' ' ALA . 0.9 OUTLIER 155.14 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.562 1.164 . . . . 0.0 109.33 -179.959 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.625 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 9.6 pt20 -57.17 -37.58 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.278 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.637 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 37.3 t -60.38 -11.74 7.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 108.353 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -97.11 17.37 17.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 179.962 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.895 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -49.48 166.44 0.25 Allowed Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.567 1.167 . . . . 0.0 109.275 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.895 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.99 28.46 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.439 1.757 . . . . 0.0 111.0 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.038 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 46.4 62.36 2.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 35.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.331 -179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -161.39 18.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.368 179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.543 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 14.2 mtt180 -90.72 170.53 10.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.552 HG12 ' O ' ' 1' ' 19' ' ' VAL . 45.6 t -96.59 18.99 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.539 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 29.69 86.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.292 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.583 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.28 -35.85 28.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 108.306 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.63 62.3 4.56 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.985 179.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.604 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -90.64 144.0 29.87 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 0.799 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -9.97 21.03 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.499 1.789 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -122.93 18.51 10.13 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.61 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.559 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.3 127.27 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.589 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -164.55 151.24 9.62 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.381 1.051 . . . . 0.0 110.442 -179.953 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.95 52.55 3.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 179.917 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.499 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.06 -20.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.612 1.195 . . . . 0.0 109.318 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.589 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -97.8 -43.69 7.04 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 42.9 m -55.99 -52.06 65.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 108.269 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -66.86 -6.12 15.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -102.71 -26.69 13.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.604 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.77 -23.32 29.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.44 25.16 2.98 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 38.6 m -120.71 -177.05 3.38 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.585 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.6 t -128.19 126.23 40.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 108.249 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.28 121.57 30.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.569 1.168 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.593 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.24 -82.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.593 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.4 OUTLIER 85.47 -23.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.99 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 4.1 mtp180 -62.27 -44.42 96.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.959 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -119.79 107.64 40.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 -179.997 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -4.1 14.91 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.5 1.789 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.92 -3.98 61.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.038 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -122.01 -175.82 0.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.583 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.1 118.38 5.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.442 1.759 . . . . 0.0 110.978 -179.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.571 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -92.71 30.53 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.055 179.978 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.583 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 16.3 t -168.83 108.35 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 108.374 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.602 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -145.25 -170.45 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 -179.979 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.6 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.48 70.01 23.72 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 179.98 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.637 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.5 Cg_endo -74.98 -100.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.487 1.783 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.988 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -90.14 33.84 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.3 mm-40 -56.21 -23.85 38.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.632 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.26 -27.36 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.995 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.454 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -39.96 -78.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.501 1.125 . . . . 0.0 109.242 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.01 24.32 11.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 6.7 t -105.36 -60.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.598 1.186 . . . . 0.0 108.269 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.632 HG22 ' O ' ' 1' ' 54' ' ' GLU . 3.1 t -63.42 -29.21 70.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.39 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.3 t80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -82.66 60.95 5.51 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.534 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 11.0 m-85 -90.16 74.68 7.1 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -122.14 -49.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.278 179.993 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.928 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -70.22 -1.89 37.41 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.928 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -127.62 6.88 6.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 109.292 -179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.483 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 2.7 t -109.31 -160.34 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.618 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -56.56 86.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' 2' ' 7' ' ' SER . 3.1 t-20 162.51 -26.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.566 HE21 ' C ' ' 2' ' 51' ' ' PRO . 17.3 tt0 -65.62 -30.35 71.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.909 ' HB2' HD23 ' 2' ' 52' ' ' LEU . 6.1 m -58.72 -13.62 6.46 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.447 1.092 . . . . 0.0 108.287 179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.473 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -110.82 23.06 14.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.906 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.62 168.03 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.973 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.96 25.34 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.798 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.927 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 46.39 67.62 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 164.08 42.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -164.5 16.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.65 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 19.4 mtt180 -90.26 -178.3 5.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.563 HG12 ' O ' ' 2' ' 19' ' ' VAL . 47.1 t -110.14 18.29 7.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.485 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.6 OUTLIER 33.34 84.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 179.963 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.63 ' SG ' ' CE2' ' 2' ' 23' ' ' TYR . 5.3 t -49.61 -37.22 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 108.243 -179.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.04 61.58 3.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.63 ' CE2' ' SG ' ' 2' ' 21' ' ' CYS . 0.2 OUTLIER -91.27 149.38 39.63 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.55 0.794 . . . . 0.0 110.97 -179.988 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.07 -7.03 18.74 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.528 1.804 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.2 OUTLIER -123.63 12.59 9.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.616 179.902 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.817 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -38.11 115.13 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.574 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -161.68 157.23 20.76 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.475 179.957 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.507 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.3 Cg_endo -75.01 48.56 2.03 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.59 1.837 . . . . 0.0 110.998 -179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' H ' ' H ' ' 2' ' 30' ' ' GLU . 4.5 tttt -178.44 -17.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.207 179.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.574 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.6 OUTLIER -99.55 -43.53 6.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 96.1 m -56.98 -55.86 29.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 108.253 179.988 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.07 -10.34 9.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -95.02 -31.71 13.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.486 ' HB2' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -85.45 -27.81 25.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.542 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 121.5 26.53 1.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 82.6 m -123.22 164.32 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.945 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.859 ' SG ' ' SG ' ' 2' ' 11' ' ' CYS . 0.5 OUTLIER -111.45 122.74 48.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.977 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 34.0 t80 -85.35 123.03 30.35 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.587 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -83.75 -82.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.587 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.93 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.442 1.089 . . . . 0.0 109.998 179.991 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -64.05 -44.32 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.927 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -117.37 109.3 42.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.8 17.24 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.483 1.781 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.43 -3.97 62.72 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.561 1.163 . . . . 0.0 111.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.559 ' HB ' ' HD2' ' 2' ' 46' ' ' PRO . 0.9 OUTLIER -121.16 -177.57 0.5 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 0.73 . . . . 0.0 109.294 -179.936 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.559 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.0 117.16 4.81 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.486 1.782 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.84 27.91 1.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 107.991 179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.817 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.7 t -171.18 101.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.696 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -136.82 -167.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.16 66.93 43.38 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.951 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.82 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.05 -96.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.422 1.749 . . . . 0.0 111.036 -179.999 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.909 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -96.06 42.65 1.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.578 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.7 mm100 -57.07 -16.98 8.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.6 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -48.14 -19.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 179.998 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -34.78 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.77 10.9 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 1.3 t -86.61 -61.05 1.82 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 108.286 -179.955 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.6 HG22 ' O ' ' 2' ' 54' ' ' GLU . 11.8 t -49.56 -38.62 31.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.969 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 110.952 -179.975 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 43.1 mp0 -80.27 -120.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.409 ' O ' ' HB2' ' 1' ' 7' ' ' SER . 2.8 p90 -92.63 79.43 4.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 57.4 t -139.35 -51.67 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.431 ' C ' ' HB2' ' 1' ' 10' ' ' GLN . . . -64.62 -6.02 20.64 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.637 HD23 ' H ' ' 1' ' 6' ' ' LEU . 1.0 OUTLIER -142.94 16.94 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 109.276 179.965 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.89 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 9.3 t -106.42 107.2 18.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.909 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . 28.83 -76.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.89 ' N ' ' O ' ' 1' ' 7' ' ' SER . 11.1 t-20 -43.97 -13.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.681 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -52.73 -46.31 67.37 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.117 . . . . 0.0 110.311 179.98 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.658 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 12.1 t -65.78 -3.25 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 108.335 179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.654 ' HB3' ' ND2' ' 1' ' 9' ' ' ASN . . . -109.12 15.26 23.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.941 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.46 167.77 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.941 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.98 27.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.004 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 47.9 65.11 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.95 37.08 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.565 1.166 . . . . 0.0 109.37 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -161.23 16.57 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.558 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.9 mtt180 -91.38 171.69 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.577 HG12 ' O ' ' 1' ' 19' ' ' VAL . 48.6 t -98.69 17.27 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 32.97 85.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.73 -36.91 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 43.05 62.78 2.22 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.581 ' CD2' ' HD2' ' 1' ' 34' ' ' ARG . 0.7 OUTLIER -91.64 156.32 43.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -15.23 20.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -132.58 53.43 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.558 -179.979 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.694 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -74.65 125.56 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.521 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.4 OUTLIER -165.29 157.22 13.12 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.59 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.04 55.61 4.02 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.516 1.798 . . . . 0.0 110.961 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 179.13 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.521 ' H ' HG22 ' 1' ' 27' ' ' THR . 1.1 mp0 -99.76 -48.8 4.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.541 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 5.3 m -55.96 -51.21 68.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.3 m-80 -66.98 -4.53 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 48.6 t-20 -104.75 -27.16 11.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.429 1.081 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.581 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.1 OUTLIER -84.85 -25.08 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.268 -179.939 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.5 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.06 26.21 2.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.03 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.8 m -120.91 -177.84 3.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.565 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.3 t -129.53 122.16 28.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 108.276 179.945 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.59 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 54.8 t80 -87.93 123.55 32.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.557 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.5 t70 -90.39 -84.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 109.246 -179.943 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.557 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 89.6 -15.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.936 179.982 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -64.28 -43.46 94.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.29 -179.913 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.1 mt -121.77 109.39 34.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.441 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.0 -3.93 14.65 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.537 1.809 . . . . 0.0 111.022 -179.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.86 -6.24 62.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.004 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -122.14 -175.61 0.37 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.261 179.945 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.93 117.38 4.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.441 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -92.48 30.37 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 108.01 -179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.694 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 51.8 t -171.62 110.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 108.344 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.621 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -146.65 -168.34 3.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 111.024 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.645 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.55 69.26 15.84 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.681 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.4 Cg_endo -75.05 -100.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -88.28 31.43 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.645 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.0 mm100 -53.33 -24.36 11.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.5 ' HG2' HG22 ' 1' ' 58' ' ' THR . 0.7 OUTLIER -38.0 -28.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.2 -55.62 0.98 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -139.78 21.03 2.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 0.6 OUTLIER -96.6 -74.65 0.56 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 108.295 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.5 HG22 ' HG2' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -61.61 -41.71 97.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' 1' ' 59' ' ' PHE . 70.4 t80 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.117 . . . . 0.0 111.044 -179.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . 0.601 ' HA ' ' CE1' ' 2' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.74 -3.09 58.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.661 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 0.1 OUTLIER -91.83 65.04 4.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.433 1.083 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.48 HG13 ' N ' ' 2' ' 5' ' ' GLY . 7.3 p -126.29 -52.86 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.48 ' N ' HG13 ' 2' ' 4' ' ' VAL . . . -70.58 5.6 7.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.98 179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.661 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -145.74 22.58 1.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 0.802 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.457 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 67.5 p -107.18 158.38 17.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.082 . . . . 0.0 110.024 -179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.739 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -60.87 83.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' 2' ' 7' ' ' SER . 10.0 t-20 178.14 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.181 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.536 HE21 ' HA ' ' 2' ' 51' ' ' PRO . 13.6 tt0 -59.73 -31.17 69.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.72 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 41.4 t -66.21 -6.89 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.294 -179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.484 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -105.58 22.37 15.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.536 ' CG1' ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -41.86 167.64 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.693 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 3.15 5.89 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 110.972 179.955 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.849 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 83.93 48.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.444 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 173.59 43.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.536 ' HB3' ' CG1' ' 2' ' 13' ' ' VAL . 58.9 t0 -151.82 12.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.592 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.3 mtt180 -93.12 174.54 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.479 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 20.8 t -103.72 17.4 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.479 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.4 t0 34.67 86.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.5 OUTLIER -50.9 -36.92 40.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.472 1.108 . . . . 0.0 108.324 179.959 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.15 59.56 9.31 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.618 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.4 OUTLIER -91.15 140.6 25.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.41 13.88 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.5 OUTLIER -126.22 13.73 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.592 179.967 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.672 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -39.13 125.73 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.768 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -165.43 154.85 11.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.386 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.572 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.88 47.25 1.67 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.525 1.803 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.6 tttp -179.55 -19.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.768 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.5 OUTLIER -95.62 -44.5 7.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.515 1.135 . . . . 0.0 110.318 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.561 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 56.9 m -55.63 -55.69 29.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 108.332 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.35 -12.39 13.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.413 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 14.4 t30 -93.0 -30.28 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.618 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -86.81 -25.85 24.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.453 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.64 24.48 2.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 84.1 m -121.13 168.64 11.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.516 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -114.8 128.69 56.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 108.324 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 49.2 t80 -93.55 119.36 32.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.519 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 32.2 t70 -83.24 -81.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 0.5 OUTLIER 86.73 -14.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.991 179.946 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -66.07 -45.95 79.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.395 1.059 . . . . 0.0 110.34 179.937 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.849 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.8 OUTLIER -121.05 113.52 32.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.995 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 -5.0 16.24 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.71 61.89 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.745 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -120.94 179.96 0.84 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.802 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -74.98 114.89 4.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 -179.969 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.424 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -90.97 30.27 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 0.0 108.009 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.672 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.2 t -169.93 105.15 0.33 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.659 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -143.62 -167.43 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 1.188 . . . . 0.0 111.0 179.979 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.555 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.79 68.96 34.59 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.686 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.98 -93.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.455 1.766 . . . . 0.0 111.034 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.739 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -101.37 40.05 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.555 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.0 mm100 -50.29 -20.06 0.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 110.327 179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.3 OUTLIER -40.29 -25.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.317 179.958 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.503 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.31 -68.78 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.08 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -136.27 9.54 3.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.539 1.149 . . . . 0.0 110.306 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.45 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -85.8 -53.0 5.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 108.262 179.988 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.428 HG22 ' O ' ' 2' ' 54' ' ' GLU . 4.1 t -73.08 -32.42 64.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 -179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 111.024 -179.963 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.563 ' HG2' ' CE2' ' 1' ' 3' ' ' TYR . 1.1 tp10 -87.62 -130.59 0.06 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.215 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' 1' ' 2' ' ' GLU . 0.8 OUTLIER -90.7 56.3 3.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.916 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 76.2 t -121.17 -42.07 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.464 ' O ' ' NE2' ' 1' ' 10' ' ' GLN . . . -74.04 7.45 15.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.51 HD22 ' HA ' ' 1' ' 3' ' ' TYR . 0.4 OUTLIER -132.48 8.29 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 0.0 109.237 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' 1' ' 52' ' ' LEU . 0.1 OUTLIER -91.76 179.89 5.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.988 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.773 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -70.76 -15.75 62.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -95.42 -1.83 50.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.633 ' HG3' ' N ' ' 1' ' 11' ' ' CYS . 0.0 OUTLIER -67.12 -35.98 80.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.657 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 41.5 t -70.7 -4.89 25.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 108.335 179.954 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -98.27 12.82 33.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.962 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.05 161.39 0.12 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.962 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.5 Cg_endo -74.98 28.88 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.563 1.823 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.908 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 48.43 75.37 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 164.49 46.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -163.77 -23.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 13.6 mtt180 -50.57 -178.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.516 1.135 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.543 HG12 ' O ' ' 1' ' 19' ' ' VAL . 38.5 t -113.37 20.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.503 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.8 OUTLIER 32.54 88.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 -179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.1 OUTLIER -50.16 -34.97 24.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.412 1.07 . . . . 0.0 108.28 -179.988 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.73 59.46 6.67 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.617 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.6 OUTLIER -91.05 143.48 28.56 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 0.739 . . . . 0.0 110.972 -179.969 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.4 Cg_endo -75.06 -8.88 20.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.798 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 35.4 m170 -119.76 13.03 12.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.578 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.2 p -37.87 125.13 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.571 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.73 154.82 7.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 110.389 -179.978 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.94 53.17 3.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.449 1.763 . . . . 0.0 110.997 179.984 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.66 -19.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.571 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -99.08 -43.95 6.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.568 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 59.9 m -56.13 -52.35 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 108.312 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.4 m-80 -68.68 -1.98 8.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 18.2 t-20 -101.81 -33.36 9.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.617 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.64 -24.61 36.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 120.32 24.39 2.68 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.151 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.3 m -115.53 179.19 4.04 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -179.974 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.549 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.3 t -123.95 125.73 45.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 108.306 -179.921 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -89.32 120.03 30.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.563 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -83.15 -83.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.563 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.32 -22.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.975 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mtp85 -64.45 -44.52 90.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.908 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.8 OUTLIER -120.2 107.82 38.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 17.8 Cg_endo -75.08 -3.97 14.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.439 1.757 . . . . 0.0 110.94 -179.901 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.73 -6.32 65.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.825 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -121.27 -175.57 0.36 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.745 . . . . 0.0 109.326 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -75.0 119.41 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.45 27.58 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 108.072 179.946 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.636 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 14.9 t -167.99 109.38 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -148.66 -171.97 3.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 -179.987 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.63 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.87 71.21 30.02 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.657 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.96 -99.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.412 1.743 . . . . 0.0 111.042 -179.966 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.773 HD13 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -91.66 33.78 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.63 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 37.5 mm-40 -53.53 -18.46 2.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.0 -25.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.6 -69.44 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -127.62 22.24 6.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 8.0 t -99.75 -73.77 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.422 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.8 t -50.53 -29.28 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 110.365 179.986 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.1 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 -179.899 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.74 66.23 9.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.81 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 4.7 m-85 -90.47 73.87 6.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.589 1.181 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 62.2 t -119.87 -53.35 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.32 2.12 22.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' 2' ' 3' ' ' TYR . 0.0 OUTLIER -131.13 7.4 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 0.804 . . . . 0.0 109.289 179.954 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 26.0 p -87.7 175.3 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.719 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -73.69 -3.67 29.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.8 -6.55 26.74 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.967 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.718 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -65.96 -38.05 87.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.682 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 31.9 t -68.53 -4.59 15.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 108.292 -179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.463 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -109.56 14.78 23.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.934 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.35 167.33 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.934 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 26.92 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.801 . . . . 0.0 110.964 -179.933 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.909 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 50.77 71.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.469 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 168.67 39.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.463 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 8.1 t70 -163.44 15.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.41 1.069 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.614 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 14.4 mtt180 -92.44 170.34 9.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 5.1 t -92.8 13.31 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.579 1.175 . . . . 0.0 109.37 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.495 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 1.4 t0 35.01 80.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.689 ' SG ' ' CD1' ' 2' ' 23' ' ' TYR . 2.2 t -47.84 -37.68 14.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 108.342 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' 2' ' 21' ' ' CYS . . . 35.82 60.79 0.8 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.449 1.093 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.808 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.2 m-85 -93.06 157.69 38.67 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 111.071 179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -12.79 21.46 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.489 1.784 . . . . 0.0 110.961 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.502 ' CG ' ' HG2' ' 2' ' 30' ' ' GLU . 0.8 OUTLIER -115.4 5.05 14.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.137 . . . . 0.0 109.618 -179.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.835 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.3 p -38.02 115.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.731 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -165.26 161.53 14.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.446 -179.983 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.49 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.0 49.96 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.459 1.768 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.419 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 0.0 OUTLIER -178.99 -24.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.731 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -93.28 -45.05 8.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 92.6 m -54.48 -57.09 12.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 108.283 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.94 -12.78 12.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' 2' ' 29' ' ' LYS . 8.1 t30 -88.48 -36.3 16.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.48 -25.81 33.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.95 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.482 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 117.68 24.28 3.45 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.608 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 79.2 m -112.61 170.92 7.85 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 179.956 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.568 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.31 125.43 52.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 108.316 179.98 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.7 t80 -91.84 119.57 31.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 24.4 t70 -88.02 -83.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 87.68 -16.35 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 -179.989 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -61.93 -43.53 98.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.32 179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.811 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -121.93 110.21 33.32 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.45 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -75.0 -3.94 14.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.14 -8.2 63.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.909 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.46 -175.74 0.37 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.492 0.76 . . . . 0.0 109.313 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.604 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 117.55 4.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.45 ' NE1' ' HA ' ' 2' ' 43' ' ' PRO . 0.0 OUTLIER -91.45 29.43 1.48 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 107.993 -179.977 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.835 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 38.2 t -171.61 116.26 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 108.37 179.944 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.687 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.2 OUTLIER -153.71 -166.9 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.528 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.2 69.57 20.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.718 ' C ' ' CD ' ' 2' ' 10' ' ' GLN . 18.2 Cg_endo -74.99 -104.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.719 HD22 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -91.29 39.46 1.0 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.963 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.497 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 23.0 mm100 -49.97 -19.26 0.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.591 ' HB2' HG21 ' 2' ' 58' ' ' THR . 12.2 pt-20 -42.71 -23.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.5 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -32.72 -66.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -138.45 15.79 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.37 179.894 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.07 -57.78 2.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 108.284 179.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.591 HG21 ' HB2' ' 2' ' 54' ' ' GLU . 7.0 t -66.59 -27.64 67.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 110.449 179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 111.041 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' 1' ' 3' ' ' TYR . 0.3 OUTLIER -80.59 -139.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.97 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.595 ' HA ' HD11 ' 1' ' 6' ' ' LEU . 3.0 p90 -92.3 77.91 5.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . . . . . . . . . 26.7 t -133.09 -59.6 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.28 -3.11 11.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.754 HD22 ' O ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -142.8 16.26 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.249 -179.977 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.836 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 13.8 t -110.59 117.41 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.743 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . 29.03 -79.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.836 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -37.47 -25.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 179.931 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.654 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -53.85 -47.75 70.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 110.331 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.798 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 20.9 t -61.16 -8.73 3.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 108.369 179.908 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.696 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -96.0 16.49 17.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.962 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' 1' ' 17' ' ' ASP . 0.9 OUTLIER -37.83 159.12 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.255 -179.984 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.533 ' HD2' HG13 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -75.04 30.87 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.944 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 50.45 67.23 0.96 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 109.245 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 162.91 42.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.535 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 41.5 t0 -161.86 14.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.563 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 16.0 mtt180 -91.82 173.67 7.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 12.9 t -101.48 17.46 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' 1' ' 46' ' ' PRO . 0.5 OUTLIER 34.12 85.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.637 1.211 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.636 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 4.1 t -46.82 -39.17 11.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 108.275 -179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.6 61.02 2.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' SG ' ' 1' ' 21' ' ' CYS . 1.5 m-85 -91.84 153.38 43.63 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -4.64 15.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.5 1.79 . . . . 0.0 110.983 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -137.86 46.97 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.663 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -73.35 127.57 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.683 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -163.05 155.39 15.79 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.632 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.0 Cg_endo -75.08 52.87 3.2 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.564 1.823 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 177.26 -21.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.683 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -96.66 -46.76 6.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.177 . . . . 0.0 110.287 -179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.567 ' SG ' HG23 ' 1' ' 26' ' ' VAL . 9.5 m -55.4 -53.46 56.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.57 -6.64 7.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.228 -179.89 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 23.7 t30 -101.3 -29.38 12.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.491 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -82.64 -28.08 30.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.512 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 123.66 27.09 1.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 74.5 m -119.47 -177.98 3.5 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.566 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 7.4 t -127.72 121.02 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 108.347 179.961 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.632 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 42.6 t80 -88.11 123.44 32.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 24.2 t70 -91.45 -80.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 85.64 -13.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 1.111 . . . . 0.0 110.003 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -65.25 -43.47 91.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 1.071 . . . . 0.0 110.3 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.944 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.88 111.64 32.5 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -3.93 14.66 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.43 1.753 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -96.54 -4.82 59.22 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.432 1.083 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.588 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -120.99 -177.03 0.44 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 109.271 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.573 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.1 Cg_endo -75.02 115.4 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.981 -179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.4 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.17 28.92 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 108.027 179.943 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.663 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.4 t -171.99 107.25 0.21 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 179.968 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.664 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -140.38 -167.69 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 111.036 -179.992 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.638 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.8 67.83 41.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.665 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.4 Cg_endo -74.95 -100.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.798 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -87.57 36.25 0.75 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.13 . . . . 0.0 109.352 179.979 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.638 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -59.72 -20.87 59.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.477 ' HB2' ' CG2' ' 1' ' 58' ' ' THR . 0.0 OUTLIER -48.68 -21.1 0.54 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.257 -179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -44.49 -64.55 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -121.49 16.85 11.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.442 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 42.6 t -97.95 -87.32 0.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.477 ' CG2' ' HB2' ' 1' ' 54' ' ' GLU . 12.8 t -44.71 -33.36 1.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.454 ' C ' ' O ' ' 1' ' 58' ' ' THR . 40.1 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . 0.434 ' HB3' HG22 ' 2' ' 4' ' ' VAL . 2.5 mt-10 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -90.55 -137.36 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.711 ' HA ' HD13 ' 2' ' 6' ' ' LEU . 47.8 p90 -76.97 64.58 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.515 HG23 ' N ' ' 2' ' 5' ' ' GLY . 13.3 m -115.09 -51.57 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.515 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -72.45 5.67 14.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.823 HD12 ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -133.63 9.22 3.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 109.269 179.955 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . . . . . . . . . 71.7 p -81.78 -171.83 3.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.744 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -73.29 -5.26 38.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.464 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 2.0 t30 -100.12 -6.6 26.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.386 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.575 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.6 OUTLIER -64.62 -39.04 93.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.257 179.996 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.698 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 19.6 t -63.19 -8.17 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 108.292 -179.932 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.466 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -100.93 18.18 20.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.621 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.5 OUTLIER -38.43 159.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 179.968 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.621 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -75.0 28.89 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.486 1.782 . . . . 0.0 110.956 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.954 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 51.81 70.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.527 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 161.89 53.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.525 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 23.5 t70 -168.09 -27.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.653 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.6 mtt180 -49.3 -179.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.464 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 3.2 t -114.95 18.45 7.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 34.52 90.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.95 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -54.85 -33.82 62.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 56.18 57.77 17.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.441 1.088 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.432 ' HA ' ' HD3' ' 2' ' 24' ' ' PRO . 0.1 OUTLIER -91.39 139.62 25.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.479 0.752 . . . . 0.0 110.981 -179.971 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.6 Cg_endo -74.9 -8.4 20.14 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.503 1.791 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -125.59 29.68 5.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.657 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 0.9 OUTLIER -50.08 121.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.616 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -169.6 155.35 5.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.427 -179.995 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.84 50.44 2.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.906 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.4 tttt -174.98 -22.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.616 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.2 OUTLIER -97.89 -45.56 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.567 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 21.6 m -63.38 -55.38 24.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 108.309 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -64.1 -5.34 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 14.6 t30 -104.23 -29.58 10.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.497 ' CD ' ' C ' ' 2' ' 34' ' ' ARG . 0.0 OUTLIER -86.49 -29.92 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.36 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.484 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.0 24.47 1.48 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 72.3 m -120.95 168.95 10.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.902 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.471 ' HB2' ' HD2' ' 2' ' 51' ' ' PRO . 4.7 t -115.35 128.16 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.117 . . . . 0.0 108.29 179.978 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 68.6 t80 -95.47 121.41 37.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 19.6 t70 -88.64 -84.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.563 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.9 OUTLIER 90.41 -17.32 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 179.984 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -60.97 -53.11 61.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.954 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -112.83 121.61 38.07 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.98 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -13.5 21.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.8 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.38 -8.92 65.64 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.031 179.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.59 170.96 4.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.361 -179.99 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.1 113.65 3.83 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.503 1.791 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.545 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.92 28.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 -179.978 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.657 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 18.8 t -169.52 101.44 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.692 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -139.6 -168.47 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 111.008 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.89 68.32 62.77 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.698 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.93 -98.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.744 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -94.42 38.54 1.1 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.586 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.5 mm100 -49.18 -20.06 0.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.897 ' O ' HG22 ' 2' ' 58' ' ' THR . 3.0 pt-20 -41.58 -25.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.457 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.85 -86.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.535 1.147 . . . . 0.0 109.271 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.413 ' OE1' HG11 ' 1' ' 19' ' ' VAL . 0.7 OUTLIER -109.72 14.77 23.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.425 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 6.7 t -92.82 -68.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 108.341 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.897 HG22 ' O ' ' 2' ' 54' ' ' GLU . 12.3 t -48.65 -22.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.21 -141.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.53 ' N ' ' CD1' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -74.16 73.06 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.498 HG22 ' N ' ' 1' ' 5' ' ' GLY . 0.2 OUTLIER -126.56 -64.03 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.498 ' N ' HG22 ' 1' ' 4' ' ' VAL . . . -67.65 3.34 5.03 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.65 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -152.01 22.42 0.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.755 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t -72.88 177.5 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 110.059 179.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.838 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -65.69 -13.22 58.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.346 179.919 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.459 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -90.55 -7.94 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.66 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 4.7 pt20 -66.01 -37.93 87.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.754 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 33.5 t -63.13 -8.48 7.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 108.359 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -98.6 14.46 28.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.661 HG21 ' HB3' ' 1' ' 17' ' ' ASP . 0.8 OUTLIER -38.21 159.44 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.954 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.542 ' HD2' HG13 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.98 30.93 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.966 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 51.17 68.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.519 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.55 42.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.372 -179.941 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.661 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 38.4 t0 -161.83 12.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.565 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 8.3 mtt180 -91.42 169.37 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.56 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 11.4 t -98.37 22.29 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.56 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 27.44 85.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.576 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.7 OUTLIER -48.39 -36.47 14.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.55 59.91 8.53 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 -179.968 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.636 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.94 141.04 26.28 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.471 0.748 . . . . 0.0 110.931 -179.949 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.89 19.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.607 1.846 . . . . 0.0 111.052 179.91 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -127.5 32.15 5.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.595 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -54.15 128.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.548 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -167.16 151.97 6.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.396 1.06 . . . . 0.0 110.402 180.0 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.593 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -75.02 57.1 4.47 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.513 1.796 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 175.9 -22.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.287 -179.961 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.548 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.6 OUTLIER -98.73 -46.52 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 21.6 m -55.97 -51.71 66.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.266 179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.55 -3.43 8.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t30 -105.64 -27.82 11.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.919 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.636 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.88 -25.79 29.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.04 25.49 2.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 61.8 m -121.22 -178.28 3.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.996 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.579 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 8.1 t -126.49 124.69 40.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 108.331 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 48.7 t80 -86.71 121.87 29.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 111.058 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.595 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -86.17 -82.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.595 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.2 OUTLIER 84.35 -22.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.413 ' HB2' ' OD1' ' 1' ' 39' ' ' ASP . 2.2 mtp-105 -62.55 -44.19 96.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.813 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -119.98 110.32 36.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -6.23 17.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.523 1.802 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.49 -2.5 63.48 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.966 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -121.46 -177.89 0.54 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.576 0.81 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.547 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 117.26 4.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.547 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -90.17 28.2 1.47 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 14.3 t -169.19 105.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 108.278 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.631 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.94 -170.15 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 -179.981 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.621 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.11 69.24 38.47 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.662 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -75.01 -101.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 111.021 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.838 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -88.66 33.65 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.621 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 44.8 mm-40 -56.3 -21.31 23.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.23 -25.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.436 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -38.3 -65.79 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.245 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.445 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.1 mt-10 -135.64 24.69 3.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . . . . . . . . . 4.1 t -104.44 -55.21 2.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.44 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.9 t -68.51 -38.67 81.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.406 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 9.1 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -81.66 67.46 7.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.418 ' HA ' HD21 ' 2' ' 6' ' ' LEU . 13.5 m-30 -87.51 76.15 9.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 -179.921 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.48 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -127.34 -59.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.476 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -69.3 7.35 3.55 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.612 1.195 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.769 ' N ' HD13 ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -150.24 29.64 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.525 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 22.8 p -102.87 172.62 6.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.521 1.138 . . . . 0.0 110.088 179.906 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.616 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . -72.3 -3.72 25.46 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.157 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.74 -2.51 32.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.582 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -66.17 -36.01 81.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.365 179.911 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.825 ' HB2' HD23 ' 2' ' 52' ' ' LEU . 6.9 m -68.12 -10.36 53.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 108.325 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -118.43 21.75 12.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -43.67 167.0 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.994 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.01 26.31 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.569 1.826 . . . . 0.0 110.979 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.058 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 47.1 69.26 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.476 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 164.94 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -163.21 12.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.421 1.076 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 18.3 mtt180 -90.02 178.78 6.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 12.1 t -109.06 19.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.934 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 1.3 t0 32.4 84.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -48.5 -37.1 16.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 108.328 -179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.04 59.28 7.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.644 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.7 OUTLIER -90.82 142.83 28.0 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 179.948 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -2.35 12.42 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.413 1.744 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 1.4 t-160 -125.71 10.85 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.627 179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.62 122.86 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.587 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -167.39 158.05 9.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.963 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.524 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -75.02 48.1 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.481 1.779 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.9 OUTLIER 179.83 -15.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.987 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.587 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.8 OUTLIER -100.34 -45.17 5.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.965 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 97.8 m -55.67 -55.65 29.64 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.525 1.141 . . . . 0.0 108.258 -179.962 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.19 -11.32 13.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -91.53 -33.61 15.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.644 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -84.96 -25.18 27.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.513 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.42 25.71 2.84 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.539 1.149 . . . . 0.0 111.062 -179.973 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.578 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 38.2 m -121.87 162.46 20.94 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.261 -1.015 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.514 ' HB2' ' CD ' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -109.15 125.84 52.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.462 1.101 . . . . 0.0 108.245 -179.972 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 40.7 t80 -88.45 120.0 29.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.554 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.7 -83.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 109.298 179.937 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.554 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 1.3 t 85.6 -22.46 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.957 179.976 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -66.1 -41.83 90.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 1.058 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -121.09 107.65 37.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 2' ' 47' ' ' TRP . 18.2 Cg_endo -74.97 -5.33 16.66 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.14 -7.25 68.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.81 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.2 m -121.37 -175.54 0.36 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.793 . . . . 0.0 109.222 -179.941 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.614 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.02 121.11 6.36 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.527 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.46 26.61 2.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 108.038 -179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.738 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.5 t -168.81 105.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 108.269 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.73 ' CZ ' ' CZ ' ' 2' ' 18' ' ' ARG . 0.1 OUTLIER -144.68 -171.26 3.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.966 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.614 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -121.83 69.28 25.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.731 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.4 Cg_endo -74.99 -93.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.825 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -99.26 38.17 1.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.614 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 25.6 mm100 -51.26 -21.29 2.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 -179.95 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -39.33 -26.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.271 -179.942 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.52 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.11 -65.13 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.07 14.03 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.474 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -90.5 -54.42 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 108.275 -179.989 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.433 HG22 ' O ' ' 2' ' 54' ' ' GLU . 6.5 t -61.68 -43.64 98.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 0.0 110.434 179.96 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 179.943 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.983 ' O ' HG13 ' 1' ' 4' ' ' VAL . 2.5 mt-10 -91.43 87.72 6.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.201 -179.948 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.548 ' HA ' HD13 ' 1' ' 6' ' ' LEU . 53.4 m-85 -34.61 88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.041 179.915 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.983 HG13 ' O ' ' 1' ' 2' ' ' GLU . 18.5 m -105.1 -45.36 8.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.187 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.51 ' C ' HD12 ' 1' ' 6' ' ' LEU . . . -73.45 6.62 15.58 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.915 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -121.87 -10.29 8.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 0.773 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' 1' ' 10' ' ' GLN . 4.0 m -110.07 -156.94 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.678 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -55.61 143.01 31.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 179.941 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.674 ' CB ' ' O ' ' 1' ' 8' ' ' ALA . 0.4 OUTLIER 98.48 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.684 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.0 OUTLIER -56.43 -34.97 67.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.867 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 1.3 m -56.64 -14.0 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.444 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -108.71 27.94 8.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.926 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.24 167.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.362 179.98 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.926 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -75.0 26.23 0.37 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.519 1.799 . . . . 0.0 110.958 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.923 ' HB1' HG11 ' 1' ' 45' ' ' VAL . . . 47.64 69.29 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.528 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.4 42.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 -179.983 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -163.29 14.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.58 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 14.6 mtt180 -90.45 171.86 9.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.517 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.6 t -102.24 19.3 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.517 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 31.49 86.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.24 -35.5 27.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 108.272 -179.987 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.71 58.71 10.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.043 -179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.633 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.5 OUTLIER -91.16 140.54 25.85 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.425 0.721 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -1.61 11.47 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 42.0 m-70 -126.75 12.33 7.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.582 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.714 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.5 p -37.96 124.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.732 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -164.51 156.33 13.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.573 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.54 2.54 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.396 1.735 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.03 -19.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.732 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -93.98 -45.71 7.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 85.9 m -55.43 -56.56 18.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.556 1.16 . . . . 0.0 108.326 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.9 m-80 -61.0 -9.02 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.382 1.051 . . . . 0.0 109.314 179.946 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.419 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 8.5 t30 -95.03 -36.54 11.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.633 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.02 -23.1 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.158 . . . . 0.0 110.268 -179.986 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.13 20.76 3.95 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.571 1.169 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.622 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 55.7 m -120.57 156.85 30.75 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.677 ' SG ' ' SG ' ' 1' ' 11' ' ' CYS . 0.5 OUTLIER -100.82 125.39 47.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.257 -179.993 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 39.7 t80 -88.29 119.0 28.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 111.025 179.907 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.568 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.1 OUTLIER -79.32 -83.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.568 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 1.7 t 85.95 -23.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mtp85 -64.53 -46.19 83.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.859 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.6 OUTLIER -115.2 109.19 46.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.97 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -4.73 15.82 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.4 -3.7 61.26 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.923 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -120.08 -178.6 0.59 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.743 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.526 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -74.99 116.39 4.57 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.511 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -89.53 29.14 1.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.566 1.166 . . . . 0.0 107.968 179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.714 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 7.4 t -170.12 101.8 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.357 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' CD2' ' HG3' ' 1' ' 51' ' ' PRO . 0.1 OUTLIER -141.05 -171.5 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.938 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.627 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -122.57 68.82 32.1 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 109.346 179.932 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.861 ' HG2' ' SG ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.03 -99.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.57 1.826 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.867 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -91.62 39.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.627 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 10.9 mm-40 -54.98 -21.06 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.472 ' CB ' ' OG1' ' 2' ' 58' ' ' THR . 0.5 OUTLIER -43.39 -23.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 110.27 -179.945 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.75 -67.42 0.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.919 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -118.27 16.1 13.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 9.1 t -98.88 -90.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 108.295 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.453 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 0.6 OUTLIER -37.61 -33.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.387 -179.985 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.453 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.7 t80 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -89.79 73.64 7.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.959 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.769 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 7.8 m-85 -87.64 82.71 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 47.7 t -122.89 -59.91 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.432 ' C ' ' HG3' ' 2' ' 10' ' ' GLN . . . -70.99 6.72 6.32 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.769 HD11 ' HA ' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER -145.58 16.74 1.47 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 0.738 . . . . 0.0 109.195 -179.966 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.425 ' O ' ' HB3' ' 2' ' 52' ' ' LEU . 0.7 OUTLIER -84.16 168.93 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.956 179.983 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.694 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -68.64 -6.85 28.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.49 -8.89 34.02 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.521 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -67.15 -33.73 76.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.402 179.882 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.805 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 35.4 t -74.3 -0.61 17.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 108.351 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.74 12.25 18.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.949 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -45.53 166.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.949 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -74.99 27.82 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.967 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.999 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 44.37 59.74 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.62 33.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.404 1.065 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -160.38 17.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.507 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 21.2 mtt180 -85.9 178.43 7.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.678 HG12 ' O ' ' 2' ' 19' ' ' VAL . 87.3 t -108.88 19.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.511 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.6 OUTLIER 31.64 90.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.943 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -55.94 -31.69 63.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 108.333 179.948 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 51.65 56.01 17.66 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.445 ' OH ' ' HB2' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -85.55 143.15 38.12 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.507 0.769 . . . . 0.0 111.03 179.996 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.95 -14.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.457 1.767 . . . . 0.0 111.043 179.953 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -121.07 27.27 8.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.635 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.6 OUTLIER -43.08 114.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.605 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.44 154.2 7.86 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.355 -179.999 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 50.06 2.43 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' 2' ' 33' ' ' ASN . 2.2 tttp -170.5 -25.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.605 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -98.64 -44.78 6.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.511 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 16.4 m -62.52 -55.79 24.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.89 -4.79 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.9 t30 -102.88 -29.95 11.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.479 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -86.61 -30.64 21.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' 2' ' 34' ' ' ARG . . . 127.29 23.62 1.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 77.7 m -118.17 174.79 6.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.96 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.531 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.4 t -123.41 124.13 42.23 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 108.306 179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 82.3 t80 -90.88 122.49 33.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 -179.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 26.7 t70 -90.26 -83.72 0.25 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.3 OUTLIER 88.06 -15.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -42.73 95.84 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.413 1.07 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.785 HD12 ' HB3' ' 2' ' 15' ' ' ALA . 0.6 OUTLIER -121.1 111.34 33.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.74 17.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.416 1.745 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.14 -5.6 62.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.999 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.65 -178.08 0.55 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.566 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -74.97 116.33 4.56 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.635 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -90.07 28.43 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 107.992 179.967 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.536 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 49.9 t -171.56 107.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.427 1.079 . . . . 0.0 108.285 179.937 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.649 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -140.73 -167.92 2.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 -179.963 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' 1' ' 57' ' ' CYS . 0.0 OUTLIER -123.13 68.09 35.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.902 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -75.04 -91.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.805 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -104.25 27.36 7.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.564 ' NE2' ' N ' ' 2' ' 54' ' ' GLU . 0.0 OUTLIER -50.92 -14.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 179.959 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.564 ' N ' ' NE2' ' 2' ' 53' ' ' GLN . 1.2 pp20? -50.39 -18.96 0.72 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.47 1.106 . . . . 0.0 110.205 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.609 ' O ' ' CE1' ' 2' ' 59' ' ' PHE . . . -34.23 -66.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.63 14.07 3.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 29.1 t -96.23 -79.51 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.472 ' OG1' ' CB ' ' 1' ' 54' ' ' GLU . 0.7 OUTLIER -48.09 -25.47 1.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 110.362 -179.96 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.609 ' CE1' ' O ' ' 2' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.909 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -89.05 -25.47 21.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 110.298 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.509 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 3.8 p90 -93.0 68.44 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 55.1 t -130.43 -50.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' 2' ' 58' ' ' THR . . . -68.41 2.31 7.69 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.501 1.125 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.513 ' CD2' ' C ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -147.14 19.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 0.753 . . . . 0.0 109.308 -179.963 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.513 ' O ' ' N ' ' 1' ' 9' ' ' ASN . 0.2 OUTLIER -105.87 139.67 40.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.402 1.064 . . . . 0.0 109.961 -179.988 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.707 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -67.13 59.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -152.8 -26.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.486 HE21 ' C ' ' 1' ' 51' ' ' PRO . 14.8 tt0 -59.01 -32.46 69.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.929 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 4.0 m -62.1 -8.7 5.82 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 108.255 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' 1' ' 13' ' ' VAL . . . -119.29 21.45 12.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.936 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.43 166.9 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.95 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.936 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.99 27.29 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.918 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 46.12 68.8 0.54 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.451 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 167.95 40.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 -179.962 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -162.08 13.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 49' ' ' PHE . 14.5 mtt180 -90.25 172.57 8.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.2 t -105.15 19.2 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.48 86.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.977 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.57 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -50.72 -35.46 31.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.482 1.114 . . . . 0.0 108.333 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.84 61.52 6.02 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.603 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.4 OUTLIER -91.0 143.57 28.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 111.048 179.919 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.5 Cg_endo -74.92 -5.99 17.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.052 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' 1' ' 26' ' ' VAL . 0.1 OUTLIER -124.93 13.67 8.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.594 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.669 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.3 p -37.84 124.58 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.735 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -165.03 154.64 11.61 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 179.988 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.93 51.39 2.75 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.551 1.816 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 178.41 -21.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 -179.945 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.735 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -94.91 -45.21 7.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 110.25 -179.961 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 79.4 m -55.79 -56.1 24.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.961 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 2.0 m-80 -61.48 -9.01 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 30.6 t-20 -98.84 -31.53 11.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.603 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.98 -22.97 31.24 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.474 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 119.98 16.75 4.78 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.072 -179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 15.1 m -120.61 157.49 29.43 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.975 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.808 ' SG ' ' SG ' ' 1' ' 11' ' ' CYS . 0.1 OUTLIER -103.12 126.94 50.52 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 108.306 179.913 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 43.4 t80 -90.87 118.18 30.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 111.002 179.93 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.532 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 21.0 t70 -82.48 -82.22 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 88.75 -16.49 0.3 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -58.91 -59.71 5.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.635 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -108.05 125.41 32.12 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.948 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -14.27 21.47 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.507 1.793 . . . . 0.0 111.053 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.04 -9.75 65.31 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.918 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -106.43 169.1 7.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 109.332 179.929 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.873 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.6 Cg_endo -75.01 113.51 3.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.542 1.811 . . . . 0.0 111.063 179.923 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.414 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -87.01 29.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.916 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.669 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 7.9 t -169.65 99.46 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 108.327 -179.96 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.775 ' CZ ' ' CZ ' ' 1' ' 18' ' ' ARG . 0.2 OUTLIER -142.41 -171.07 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.943 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.617 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -119.5 70.08 12.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.338 179.959 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.814 ' HG2' ' SG ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -74.99 -97.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.502 1.791 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.929 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -93.87 32.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.617 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.1 mm100 -52.31 -22.53 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.489 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -38.92 -28.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.366 -179.976 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.473 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -34.13 -67.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.913 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.405 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 2.5 mt-10 -137.12 25.21 2.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 2.9 t -105.63 -49.82 3.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 -179.998 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.489 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 2.4 t -78.74 -39.81 35.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' 1' ' 58' ' ' THR . 41.0 t80 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.54 72.2 10.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.955 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.497 ' HA ' HD13 ' 2' ' 6' ' ' LEU . 5.9 m-85 -86.9 77.6 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.504 HG23 ' N ' ' 2' ' 5' ' ' GLY . 28.6 m -116.83 -52.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.504 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -71.27 1.29 27.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.649 HD12 ' N ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -130.87 9.21 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 179.991 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.459 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.5 OUTLIER -107.32 -165.43 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.987 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.714 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -58.19 85.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' 2' ' 7' ' ' SER . 2.5 t-20 165.73 -30.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.947 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' 2' ' 6' ' ' LEU . 12.4 tt0 -66.27 -30.55 71.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.974 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.748 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 43.7 t -65.43 -6.88 11.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 108.296 179.969 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -108.54 13.84 25.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.77 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.5 OUTLIER -40.63 161.98 0.11 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.077 . . . . 0.0 109.361 179.953 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.77 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 17.9 Cg_endo -75.01 29.49 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.932 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.878 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 50.66 71.53 0.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' 2' ' 15' ' ' ALA . 0.1 OUTLIER 163.93 50.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 179.984 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.543 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 39.1 t0 -165.45 -26.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' 2' ' 49' ' ' PHE . 12.4 mtt180 -48.57 179.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 110.25 -179.939 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.502 HG12 ' O ' ' 2' ' 19' ' ' VAL . 22.9 t -113.77 20.02 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.44 89.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.6 OUTLIER -53.74 -33.69 56.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 108.346 179.981 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 55.77 55.12 30.54 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.435 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.1 OUTLIER -90.15 136.24 29.0 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.453 0.737 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -4.6 15.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -124.41 21.36 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 -179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.602 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 1.3 p -43.45 123.21 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.723 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -165.63 152.52 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.34 -179.989 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.06 48.27 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.801 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.21 -23.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.723 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.1 OUTLIER -92.6 -44.85 8.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.361 179.953 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.548 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.0 m -61.43 -58.75 6.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 108.292 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.47 -8.45 2.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 12.7 t30 -101.31 -28.08 12.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.493 ' NE ' ' SG ' ' 2' ' 36' ' ' CYS . 0.0 OUTLIER -89.36 -25.99 21.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 122.88 22.12 2.49 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.574 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 74.6 m -120.77 164.87 15.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 179.995 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 6.3 t -112.08 128.04 56.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 108.236 -179.948 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 58.5 t80 -95.29 120.76 36.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.991 179.954 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 20.6 t70 -88.06 -82.62 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.55 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 88.27 -15.72 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.996 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -60.52 -53.11 61.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.764 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -116.02 125.22 28.82 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.975 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -14.76 21.01 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.554 1.818 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.99 -9.27 68.0 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.918 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -107.51 170.16 5.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.965 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.918 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.07 115.21 4.21 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.602 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -88.28 28.05 1.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 108.029 179.987 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.584 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 13.4 t -169.64 100.62 0.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.459 1.099 . . . . 0.0 108.333 179.999 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.685 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -138.0 -169.27 2.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.996 -179.978 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.607 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.32 68.29 48.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.395 179.882 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.667 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -98.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.44 1.758 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.748 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.3 OUTLIER -95.5 35.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.607 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 23.1 mm100 -47.14 -22.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 0.5 OUTLIER -36.67 -26.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.983 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -32.48 -65.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.924 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -134.99 11.9 3.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.512 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.1 OUTLIER -87.06 -63.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 108.271 179.982 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' 2' ' 59' ' ' PHE . 1.4 t -66.3 -51.61 55.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.968 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.509 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.564 ' O ' HD11 ' 1' ' 6' ' ' LEU . 0.3 OUTLIER -91.05 -137.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.803 ' HA ' HD21 ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -91.6 63.18 4.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.962 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.512 HG13 ' N ' ' 1' ' 5' ' ' GLY . 12.3 p -120.87 -52.66 3.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.512 ' N ' HG13 ' 1' ' 4' ' ' VAL . . . -70.71 3.53 12.1 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.803 HD21 ' HA ' ' 1' ' 3' ' ' TYR . 0.0 OUTLIER -131.98 3.3 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 81.9 p -86.0 165.72 16.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.94 -179.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.71 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -72.02 -5.39 34.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.219 -179.933 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.23 -13.9 27.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.675 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 0.4 OUTLIER -65.92 -40.83 91.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.91 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.806 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 15.2 t -65.14 -5.34 6.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 108.287 179.995 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.423 ' H ' ' C ' ' 1' ' 10' ' ' GLN . . . -109.53 15.33 23.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.913 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.865 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -43.19 166.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.865 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.3 Cg_endo -74.95 27.9 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.475 1.777 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.941 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 53.12 72.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 166.03 41.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.667 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 19.0 t0 -160.18 10.54 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.562 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.0 mtt180 -90.82 173.91 7.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.937 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.502 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 7.0 t -106.17 19.28 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.502 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.4 OUTLIER 32.76 87.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.9 OUTLIER -51.16 -35.71 37.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 108.29 -179.993 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.23 63.2 4.48 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -91.84 141.15 25.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.43 0.724 . . . . 0.0 110.992 179.99 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.06 -7.26 18.95 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.53 1.805 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -123.58 17.35 9.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.077 . . . . 0.0 109.575 -179.987 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.577 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 2.1 p -40.03 128.91 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.669 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.74 152.47 8.95 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.398 1.061 . . . . 0.0 110.471 -179.971 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.591 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.2 Cg_endo -75.02 51.18 2.73 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 177.73 -20.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.669 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.3 OUTLIER -96.2 -42.77 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.911 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.577 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 50.6 m -58.57 -51.24 70.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.565 1.166 . . . . 0.0 108.279 -179.964 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.477 HD21 ' H ' ' 1' ' 38' ' ' PHE . 21.4 m120 -67.55 -4.25 11.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -105.12 -27.51 11.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.634 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.7 -23.95 31.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.196 -179.942 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 118.84 23.76 3.24 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.585 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 56.3 m -120.53 -178.77 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.976 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.567 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 5.1 t -125.37 125.87 44.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.591 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 58.9 t80 -90.55 121.9 32.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.954 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 23.3 t70 -90.57 -81.91 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' 1' ' 38' ' ' PHE . 0.3 OUTLIER 87.79 -15.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.989 179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -59.66 -54.36 47.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.717 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -115.07 124.75 29.81 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.958 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -13.66 21.22 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.536 1.808 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.88 -9.82 65.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.565 1.165 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.941 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -107.34 169.72 6.41 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.542 0.789 . . . . 0.0 109.279 -179.934 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.0 Cg_endo -75.04 113.12 3.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.433 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.82 29.65 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.944 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.8 t -170.54 98.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.651 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.27 -170.61 2.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.63 69.39 16.35 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.919 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.675 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.4 Cg_endo -75.0 -100.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.806 HD23 ' CB ' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -90.38 34.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 -179.998 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.61 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 28.9 mm100 -54.57 -18.89 4.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' 1' ' 55' ' ' ALA . 0.0 OUTLIER -43.79 -25.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.916 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.432 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -40.01 -71.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.39 1.057 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.487 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 5.6 mt-10 -128.82 27.91 5.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.421 ' O ' ' CB ' ' 2' ' 50' ' ' LYS . 4.3 t -108.12 -56.83 2.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.299 -179.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.421 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 1.6 t -72.4 -29.39 63.7 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.416 1.072 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.658 ' O ' HG21 ' 2' ' 19' ' ' VAL . 3.4 t80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . 0.5 ' O ' ' CE2' ' 2' ' 3' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -89.59 64.48 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.555 ' HA ' HD11 ' 2' ' 6' ' ' LEU . 3.4 p90 -92.22 79.43 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 16.6 t -138.22 -50.03 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.7 -5.24 23.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.117 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.67 HD22 ' O ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -140.38 12.28 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.825 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 1.0 OUTLIER -110.01 117.01 32.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.98 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.752 ' HA ' HD22 ' 2' ' 52' ' ' LEU . . . 29.18 -79.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.431 1.082 . . . . 0.0 109.357 -179.938 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.825 ' N ' ' O ' ' 2' ' 7' ' ' SER . 1.0 OUTLIER -36.59 -24.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 179.999 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.641 ' CD ' ' C ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -52.64 -49.94 64.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.838 ' CB ' HD23 ' 2' ' 52' ' ' LEU . 17.2 t -61.13 -8.87 3.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 108.351 179.945 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -102.69 24.3 10.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.528 1.142 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -41.75 168.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.702 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.4 Cg_endo -74.95 2.68 6.33 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.919 ' HB1' HG11 ' 2' ' 45' ' ' VAL . . . 84.37 48.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.493 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 176.41 44.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.08 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.572 ' HB3' HG11 ' 2' ' 13' ' ' VAL . 38.6 t70 -154.94 12.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 109.231 -179.959 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.576 ' NH1' ' CG2' ' 2' ' 45' ' ' VAL . 5.2 mtt180 -92.81 178.73 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.262 179.983 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.671 HG12 ' O ' ' 2' ' 19' ' ' VAL . 96.8 t -108.4 19.34 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.922 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.48 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.8 OUTLIER 33.03 84.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.973 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.529 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -47.42 -37.61 11.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 108.323 -179.99 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.19 59.46 7.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.633 ' O ' HG12 ' 2' ' 26' ' ' VAL . 0.7 OUTLIER -92.3 146.0 31.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.554 0.796 . . . . 0.0 111.013 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -8.57 20.29 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -119.45 10.19 11.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.582 180.0 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.767 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -37.87 121.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 109.324 179.893 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.607 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.3 OUTLIER -166.85 157.97 10.71 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.402 1.064 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.547 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.5 Cg_endo -74.89 48.46 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.472 1.775 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.87 -16.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.607 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -99.41 -44.6 6.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 179.996 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 94.7 m -55.76 -55.64 29.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 108.366 179.962 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.06 -9.89 12.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -92.16 -35.6 13.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.6 ' HD2' ' CD1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.66 -26.2 32.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 179.948 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.49 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 119.75 25.25 2.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.96 179.977 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 65.7 m -117.18 168.26 10.46 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.519 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.0 t -111.99 131.3 55.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 108.256 -179.97 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 42.3 t80 -94.56 118.9 32.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.1 OUTLIER -79.38 -83.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.951 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.562 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.09 -21.54 0.23 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.977 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -65.66 -43.53 89.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 110.232 -179.924 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.824 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -120.0 109.71 37.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.72 15.83 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.97 -3.51 61.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.919 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -120.53 -177.54 0.49 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.03 117.17 4.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.492 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -89.49 29.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 179.933 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.767 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.6 t -169.39 112.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 108.258 -179.969 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.626 ' O ' ' HA ' ' 2' ' 36' ' ' CYS . 0.2 OUTLIER -149.74 -169.91 3.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.975 179.991 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.642 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -125.02 70.75 61.21 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 109.296 -179.988 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.682 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.3 Cg_endo -75.03 -98.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.408 1.741 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.838 HD23 ' CB ' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -92.67 31.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.964 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.642 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.6 mm100 -44.42 -23.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 5.8 pt-20 -37.96 -27.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.525 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -29.98 -59.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.64 17.53 1.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.505 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -93.27 -69.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.074 . . . . 0.0 108.315 -179.956 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.414 ' O ' ' O ' ' 1' ' 51' ' ' PRO . 5.8 t -61.65 -41.28 97.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 -179.987 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 1.003 ' O ' HG23 ' 1' ' 4' ' ' VAL . 13.8 tt0 -91.06 85.14 5.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.263 179.986 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -46.0 85.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 1.003 HG23 ' O ' ' 1' ' 2' ' ' GLU . 20.1 t -123.54 -49.63 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.479 ' O ' ' CG ' ' 1' ' 10' ' ' GLN . . . -71.84 0.53 36.28 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.535 1.147 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.441 ' HA ' ' NE2' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -128.83 7.08 5.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 0.723 . . . . 0.0 109.258 -179.951 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.79 -153.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.016 -179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.94 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -66.5 86.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER 164.82 -29.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.494 HE21 ' C ' ' 1' ' 51' ' ' PRO . 12.7 tt0 -67.36 -28.5 68.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.628 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 43.3 t -72.76 -1.22 15.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 108.284 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . . . . . . . . . . . -116.22 10.58 14.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.934 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.8 167.95 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.934 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.12 27.41 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.973 ' HB3' HD12 ' 1' ' 42' ' ' ILE . . . 49.08 64.94 1.52 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.93 36.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.336 -179.93 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.471 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 32.8 t0 -158.99 15.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.396 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.555 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 9.5 mtt180 -90.38 175.74 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.568 HG12 ' O ' ' 1' ' 19' ' ' VAL . 46.1 t -104.49 19.65 4.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.52 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 30.54 85.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.957 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.573 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.6 OUTLIER -48.65 -35.71 14.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 108.334 179.893 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.49 61.69 5.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.612 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -90.99 141.07 26.23 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 111.013 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 -6.29 17.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -125.57 18.35 8.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.593 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.4 p -41.11 127.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.741 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -163.44 152.2 11.99 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.382 -179.993 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' 1' ' 38' ' ' PHE . 18.4 Cg_endo -74.97 50.98 2.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.453 1.765 . . . . 0.0 110.987 179.942 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 178.28 -22.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.962 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.741 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.4 OUTLIER -94.89 -44.4 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.593 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 37.6 m -55.43 -52.2 64.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 108.309 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.459 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.5 m-80 -67.56 -3.36 8.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.4 1.063 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 34.0 t-20 -105.53 -26.4 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.414 179.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -85.32 -25.55 27.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 179.91 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 121.8 23.49 2.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.471 1.107 . . . . 0.0 111.033 -179.971 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.549 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 37.1 m -121.04 -177.33 3.47 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.985 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.573 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 4.7 t -127.79 126.73 42.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 108.33 179.925 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CD2' ' HB3' ' 1' ' 28' ' ' PRO . 40.6 t80 -89.08 121.92 31.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.573 ' CG ' ' N ' ' 1' ' 40' ' ' SER . 0.0 OUTLIER -83.31 -82.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 -179.945 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.573 ' N ' ' CG ' ' 1' ' 39' ' ' ASP . 0.5 OUTLIER 86.23 -23.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.004 179.975 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.447 ' HB3' ' NH1' ' 1' ' 41' ' ' ARG . 5.4 mtp-105 -64.4 -43.3 94.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.943 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.973 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 1.1 mt -120.92 106.49 39.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.4 Cg_endo -75.06 -3.28 13.69 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.583 1.833 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.8 -6.2 63.89 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.93 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.2 -176.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.76 . . . . 0.0 109.368 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.598 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.5 Cg_endo -74.91 118.92 5.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.484 1.781 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -91.96 29.86 1.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.168 . . . . 0.0 107.982 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 12.4 t -168.49 103.71 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.156 . . . . 0.0 108.293 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -141.9 -170.25 3.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.973 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.664 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -120.82 69.51 17.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.628 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.3 Cg_endo -75.02 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.468 1.772 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -92.48 28.64 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.664 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 52.6 mm-40 -54.16 -22.89 12.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.506 ' HB2' HG21 ' 1' ' 58' ' ' THR . 0.6 OUTLIER -39.29 -28.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -37.05 -67.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.236 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -130.42 25.12 5.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 5.2 t -104.32 -55.61 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.345 179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.506 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 11.6 t -78.55 -38.2 40.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' 1' ' 58' ' ' THR . 79.2 t80 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . 0.565 ' O ' ' CD2' ' 2' ' 3' ' ' TYR . 8.3 pt-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -85.78 61.44 6.85 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.565 1.166 . . . . 0.0 110.293 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' 2' ' 1' ' ' GLU . 8.2 p90 -91.77 69.63 5.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.553 HG23 ' N ' ' 2' ' 5' ' ' GLY . 31.8 m -125.41 -54.29 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.553 ' N ' HG23 ' 2' ' 4' ' ' VAL . . . -70.37 1.59 19.2 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.553 ' N ' HD23 ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -137.11 15.49 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 0.789 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.406 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.2 OUTLIER -107.75 -167.96 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.983 -179.984 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.544 ' HA ' ' HG ' ' 2' ' 52' ' ' LEU . . . -59.96 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 4.0 t-20 159.39 -24.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.962 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.526 ' O ' HG13 ' 2' ' 13' ' ' VAL . 18.3 tt0 -57.4 -37.52 72.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.674 ' HB2' HD12 ' 2' ' 52' ' ' LEU . 10.0 t -59.12 -12.16 4.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.278 -179.987 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -97.32 21.17 10.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.697 HG11 ' HB3' ' 2' ' 17' ' ' ASP . 0.0 OUTLIER -43.26 166.3 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.974 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.707 ' O ' ' HB3' ' 2' ' 15' ' ' ALA . 18.3 Cg_endo -75.02 3.4 5.66 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.433 1.754 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.886 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 85.14 57.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.522 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 170.42 44.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.238 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.697 ' HB3' HG11 ' 2' ' 13' ' ' VAL . 55.3 t0 -154.1 10.23 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.94 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.627 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 3.5 mtt180 -93.25 176.07 6.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 11.6 t -108.72 18.18 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.477 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.4 OUTLIER 34.97 87.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.583 ' SG ' ' CE ' ' 2' ' 50' ' ' LYS . 0.1 OUTLIER -51.88 -31.99 30.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 -179.976 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 38.5 58.54 1.71 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.157 . . . . 0.0 111.049 179.97 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.74 ' O ' HG12 ' 2' ' 26' ' ' VAL . 1.0 OUTLIER -90.37 153.65 46.36 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.473 0.749 . . . . 0.0 110.873 -179.874 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 -9.71 20.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.581 1.832 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -117.63 6.87 12.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 179.993 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.869 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 2.1 p -38.28 113.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.716 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -163.67 163.79 15.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.505 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.4 Cg_endo -74.92 47.53 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.508 1.794 . . . . 0.0 111.056 179.964 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.82 -21.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 -179.932 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.716 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.2 OUTLIER -94.42 -43.24 8.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' 2' ' 26' ' ' VAL . 85.2 m -54.18 -56.28 19.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 108.302 -179.999 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -12.07 23.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -83.49 -38.82 21.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.584 ' HD2' ' CD2' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -82.35 -27.55 32.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.88 26.31 2.57 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 35.7 m -110.31 176.37 5.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.552 ' N ' ' O ' ' 2' ' 49' ' ' PHE . 3.5 t -120.8 126.5 50.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 108.317 -179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 89.8 t80 -94.19 116.27 28.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.558 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.1 t70 -84.96 -82.52 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.5 OUTLIER 89.94 -18.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 179.989 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -60.09 -40.69 90.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.928 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.886 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 1.3 mt -120.28 119.58 30.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.43 19.71 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.494 1.786 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.93 -7.62 65.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.999 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.897 HG22 ' HD2' ' 2' ' 46' ' ' PRO . 0.4 OUTLIER -108.45 170.2 5.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.584 0.814 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.897 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.01 111.18 3.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -85.87 32.14 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.983 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.869 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 10.9 t -171.15 108.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.63 ' CE2' ' HG3' ' 2' ' 51' ' ' PRO . 0.3 OUTLIER -150.53 -171.13 3.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.978 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.583 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.0 OUTLIER -121.21 73.33 27.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.63 ' HG3' ' CE2' ' 2' ' 49' ' ' PHE . 18.4 Cg_endo -74.93 -109.22 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.458 1.767 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 1.037 HD22 ' O ' ' 2' ' 52' ' ' LEU . 0.0 OUTLIER -91.16 32.84 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 109.393 179.908 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.595 ' O ' ' N ' ' 2' ' 55' ' ' ALA . 27.6 mm-40 -42.29 -24.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.531 ' HG2' HG21 ' 2' ' 58' ' ' THR . 0.4 OUTLIER -33.76 -29.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.595 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -31.64 -62.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -140.28 16.27 2.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 -179.948 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.487 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -88.62 -62.95 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 108.286 -179.99 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.531 HG21 ' HG2' ' 2' ' 54' ' ' GLU . 0.8 OUTLIER -67.79 -47.7 68.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.951 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.436 ' N ' ' CG2' ' 2' ' 58' ' ' THR . 1.7 m-85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.89 -87.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.263 -179.967 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -79.2 78.5 5.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.41 ' C ' ' H ' ' 1' ' 6' ' ' LEU . 0.1 OUTLIER -122.88 -57.12 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.447 ' O ' ' OE1' ' 1' ' 10' ' ' GLN . . . -66.02 -1.32 9.2 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.839 HD12 ' N ' ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -142.23 32.14 1.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 0.79 . . . . 0.0 109.353 179.982 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' 1' ' 52' ' ' LEU . 0.2 OUTLIER -94.96 -173.13 2.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.939 -179.922 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.736 ' HA ' HD13 ' 1' ' 52' ' ' LEU . . . -61.68 -16.35 48.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.1 OUTLIER -80.11 -18.63 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.338 -179.987 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.535 ' NE2' ' HA ' ' 1' ' 51' ' ' PRO . 1.2 tt0 -65.56 -36.72 84.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.288 179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.802 ' HB2' HD23 ' 1' ' 52' ' ' LEU . 50.7 t -69.99 -3.92 18.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.583 1.177 . . . . 0.0 108.296 179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -104.35 8.66 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.928 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -41.1 160.84 0.13 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.928 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.0 Cg_endo -75.17 36.28 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.034 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 44.61 77.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 163.26 45.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.573 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 51.3 t0 -158.63 -26.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.645 ' HE ' HG12 ' 1' ' 13' ' ' VAL . 10.1 mtt180 -53.18 177.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.463 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.3 t -111.6 19.31 6.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.214 -179.923 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.3 OUTLIER 34.34 87.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.665 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.1 t -49.04 -34.22 13.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 47.89 59.81 5.92 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 110.963 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.634 ' OH ' ' CE2' ' 2' ' 23' ' ' TYR . 0.6 OUTLIER -92.76 142.89 26.19 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 111.025 179.986 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.1 Cg_endo -75.0 -7.89 19.57 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -121.77 19.88 10.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.535 179.98 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.668 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 1.6 p -46.92 128.05 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.557 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -165.57 151.94 8.81 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.956 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.613 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 53.28 3.28 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.41 1.742 . . . . 0.0 111.079 179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.509 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.1 OUTLIER 176.37 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.557 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.7 OUTLIER -99.71 -45.73 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.906 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 14.9 m -54.92 -52.24 63.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.158 . . . . 0.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.2 m-80 -67.33 -4.09 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -103.82 -28.7 11.46 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.965 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.612 ' HD2' ' CD2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -83.6 -30.34 27.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.265 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.51 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 127.15 25.58 1.18 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 -179.907 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 59.5 m -120.53 -177.69 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.998 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 7.2 t -126.86 126.92 44.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 -179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.613 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 50.8 t80 -81.09 129.52 34.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.584 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 9.5 t70 -71.13 -99.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.574 1.171 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.584 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 1.4 t 92.09 -9.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.085 . . . . 0.0 109.938 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.401 ' H ' ' CG ' ' 1' ' 39' ' ' ASP . 8.6 mtp180 -91.34 -54.78 3.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.934 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.893 HD12 ' HB3' ' 1' ' 15' ' ' ALA . 0.9 OUTLIER -117.83 122.21 30.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -13.16 21.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -89.31 -7.34 69.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.547 1.154 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.034 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -106.38 170.96 5.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 -179.979 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.886 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.4 Cg_endo -75.01 117.28 4.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.539 ' HA ' ' HB3' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -86.09 30.27 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 107.987 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.668 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 8.9 t -168.26 97.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.267 -179.991 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.658 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -140.79 -174.09 3.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.975 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.578 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -123.56 71.01 47.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.649 ' HG3' ' CD2' ' 1' ' 49' ' ' PHE . 18.3 Cg_endo -75.01 -91.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.426 1.75 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' 1' ' 11' ' ' CYS . 0.2 OUTLIER -87.4 15.85 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.948 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.578 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 27.9 mm100 -49.3 -23.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 179.962 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.584 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -40.87 -25.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 -179.991 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' 1' ' 53' ' ' GLN . . . -56.7 -85.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -78.51 3.17 16.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 110.364 179.975 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.514 ' CB ' ' O ' ' 1' ' 53' ' ' GLN . 19.9 t -99.28 -73.37 0.63 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 108.333 179.972 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.584 HG22 ' O ' ' 1' ' 54' ' ' GLU . 0.6 OUTLIER -45.73 -39.65 8.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.556 1.16 . . . . 0.0 110.425 179.978 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' 1' ' 58' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.34 -117.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 179.962 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.418 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 5.5 p90 -91.27 80.68 5.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.516 HG23 ' H ' ' 2' ' 5' ' ' GLY . 5.8 m -135.63 -57.01 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.861 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -68.58 4.34 5.32 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.861 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -151.64 27.0 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 0.726 . . . . 0.0 109.28 -179.966 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' 2' ' 3' ' ' TYR . 15.2 p -105.86 155.93 18.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.984 179.992 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.886 ' HA ' HD12 ' 2' ' 52' ' ' LEU . . . -58.21 89.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.912 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' 2' ' 7' ' ' SER . 0.2 OUTLIER 167.66 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' 2' ' 5' ' ' GLY . 8.4 tt0 -62.01 -31.17 71.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.67 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 35.2 t -70.56 -3.92 20.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 108.263 -179.954 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.424 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -115.28 12.92 16.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.859 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.62 165.81 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.859 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.3 Cg_endo -75.02 28.11 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.582 1.832 . . . . 0.0 111.04 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.934 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 51.6 73.15 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.489 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.2 OUTLIER 164.97 40.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.619 ' HB3' HG21 ' 2' ' 13' ' ' VAL . 35.0 t0 -160.82 12.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.589 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 9.2 mtt180 -91.55 173.72 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 179.979 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.494 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 2.7 t -104.49 19.7 4.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' HA ' ' CB ' ' 2' ' 46' ' ' PRO . 0.5 OUTLIER 32.8 85.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.612 ' SG ' ' CE1' ' 2' ' 23' ' ' TYR . 4.2 t -47.46 -35.41 8.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 108.297 179.993 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 41.57 57.69 3.21 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.574 1.171 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.642 ' O ' HG12 ' 2' ' 26' ' ' VAL . 3.1 m-30 -91.63 146.71 33.68 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -3.65 14.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -122.88 11.26 9.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.671 179.935 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.754 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.7 p -41.32 124.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.135 . . . . 0.0 109.376 179.926 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.764 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -164.85 154.21 11.56 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.983 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.55 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.3 Cg_endo -75.02 47.34 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.81 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 24.1 tttt -178.95 -20.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.764 ' H ' HG22 ' 2' ' 27' ' ' THR . 1.2 mt-10 -94.82 -44.64 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.218 -179.956 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 54.1 m -55.2 -56.19 22.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.143 . . . . 0.0 108.325 -179.988 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -61.05 -13.14 14.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 -94.34 -28.04 15.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' 2' ' 30' ' ' GLU . 0.0 OUTLIER -86.32 -27.2 24.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.326 179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.516 ' HA3' ' HZ1' ' 1' ' 50' ' ' LYS . . . 120.96 24.15 2.57 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 81.6 m -118.44 177.5 4.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.967 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.553 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.2 t -123.99 127.85 48.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 108.345 179.951 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' 2' ' 40' ' ' SER . 57.4 t80 -92.87 123.65 36.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.966 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 22.8 t70 -91.02 -82.87 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.566 ' HB2' ' CE2' ' 2' ' 38' ' ' PHE . 0.7 OUTLIER 88.62 -15.88 0.32 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.999 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mtp85 -60.0 -51.27 70.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.25 179.957 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.728 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.5 OUTLIER -117.36 125.14 28.39 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.913 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -15.53 20.56 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -88.25 -10.29 68.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.476 1.11 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.934 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -106.91 169.64 6.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 0.787 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.885 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.2 Cg_endo -75.01 113.65 3.84 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.514 1.797 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.406 ' O ' ' HA ' ' 2' ' 38' ' ' PHE . 0.0 OUTLIER -86.31 29.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.59 1.181 . . . . 0.0 108.038 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.754 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 34.7 t -171.52 101.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 108.323 -179.986 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.711 ' CD2' ' HG3' ' 2' ' 51' ' ' PRO . 0.1 OUTLIER -137.86 -168.13 2.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.48 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -122.92 66.92 30.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.711 ' HG3' ' CD2' ' 2' ' 49' ' ' PHE . 18.2 Cg_endo -74.95 -88.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.895 ' C ' HD23 ' 2' ' 52' ' ' LEU . 0.1 OUTLIER -103.88 27.42 7.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 179.998 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.483 ' OE1' ' O ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -48.4 -17.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.406 1.066 . . . . 0.0 110.287 -179.98 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.524 ' O ' HG22 ' 2' ' 58' ' ' THR . 0.0 OUTLIER -40.55 -25.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 179.946 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -35.11 -64.83 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.103 . . . . 0.0 109.366 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.78 15.71 6.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.401 1.063 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' 1' ' 50' ' ' LYS . 33.2 t -92.56 -79.78 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 108.274 -179.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.524 HG22 ' O ' ' 2' ' 54' ' ' GLU . 9.8 t -42.83 -38.84 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.389 -179.965 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.445 ' C ' ' OE1' ' 1' ' 10' ' ' GLN . 1.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.056 179.943 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.44 16.47 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.423 1.077 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -90.19 72.0 7.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.556 HG13 ' N ' ' 1' ' 5' ' ' GLY . 9.3 p -117.63 -55.93 3.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.556 ' N ' HG13 ' 1' ' 4' ' ' VAL . . . -71.11 2.07 21.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.488 ' HA ' ' CD ' ' 1' ' 10' ' ' GLN . 0.1 OUTLIER -134.62 9.78 3.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 0.743 . . . . 0.0 109.295 179.955 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.74 -166.6 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.976 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.805 ' O ' HD22 ' 1' ' 52' ' ' LEU . . . -71.29 -14.2 62.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.593 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.2 OUTLIER -93.01 -8.28 43.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 109.398 179.967 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.503 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 2.6 pt20 -61.18 -42.72 99.07 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.674 ' CB ' HD23 ' 1' ' 52' ' ' LEU . 15.9 t -59.07 -11.82 4.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 108.336 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -93.92 21.18 6.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.546 HG11 ' HB3' ' 1' ' 17' ' ' ASP . 0.0 OUTLIER -42.23 168.21 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.923 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.66 ' O ' ' HB3' ' 1' ' 15' ' ' ALA . 18.2 Cg_endo -75.03 3.94 5.19 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.468 1.773 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 0.868 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 83.08 45.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.602 1.189 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.486 ' CG ' ' C ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 179.67 44.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.546 ' HB3' HG11 ' 1' ' 13' ' ' VAL . 21.2 t0 -153.28 11.25 0.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.09 . . . . 0.0 109.26 -179.92 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.583 ' NH1' ' CG2' ' 1' ' 45' ' ' VAL . 2.7 mtt180 -92.98 179.88 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.568 1.168 . . . . 0.0 110.388 179.929 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.78 20.15 5.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.934 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.1 OUTLIER 34.46 90.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.597 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 0.5 OUTLIER -56.8 -33.72 66.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 108.292 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.98 54.79 21.24 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.632 ' CE2' ' SG ' ' 1' ' 36' ' ' CYS . 0.1 OUTLIER -90.31 140.39 27.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.495 0.762 . . . . 0.0 111.049 179.999 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -12.87 21.69 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.8 10.01 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.605 -179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.608 HG12 ' O ' ' 1' ' 23' ' ' TYR . 2.0 p -41.24 128.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.631 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.5 OUTLIER -169.21 153.69 5.56 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.157 . . . . 0.0 110.421 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.585 ' O ' ' HB2' ' 1' ' 29' ' ' LYS . 18.4 Cg_endo -74.94 59.59 5.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.504 1.791 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.585 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 166.2 -21.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.631 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.5 OUTLIER -93.92 -45.7 7.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.411 1.069 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 22.8 m -53.6 -50.71 65.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 108.297 -179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' 1' ' 37' ' ' CYS . 2.4 m-80 -75.47 8.29 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.617 ' HB3' ' O ' ' 1' ' 30' ' ' GLU . 44.0 t30 -106.72 -40.54 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.609 ' HG3' ' CE2' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -81.93 -37.58 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.353 179.97 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.507 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 139.98 23.41 0.3 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.632 ' SG ' ' CE2' ' 1' ' 23' ' ' TYR . 65.9 m -118.91 165.27 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 -179.946 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.582 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 19.9 t -111.77 126.15 54.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 108.373 179.961 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' 1' ' 27' ' ' THR . 36.3 t80 -92.69 119.51 32.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' 1' ' 41' ' ' ARG . 49.4 t0 -79.86 -82.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.6 OUTLIER 84.05 -31.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' 1' ' 39' ' ' ASP . 0.0 OUTLIER -63.3 -40.26 96.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.319 179.98 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.868 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -120.31 104.08 43.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.909 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.413 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.3 Cg_endo -75.03 -5.82 17.26 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.49 -5.38 67.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 110.946 -179.967 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.831 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.0 OUTLIER -121.64 -176.44 0.41 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -74.99 119.0 5.47 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' 1' ' 38' ' ' PHE . 0.0 OUTLIER -91.44 28.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 108.019 -179.985 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 4.4 t -167.72 103.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 108.336 -179.996 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.674 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -138.99 -168.79 2.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.972 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.603 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -126.07 68.91 65.5 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.421 1.075 . . . . 0.0 109.23 -179.963 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.652 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.95 -99.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.477 1.778 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.805 HD22 ' O ' ' 1' ' 8' ' ' ALA . 0.2 OUTLIER -91.76 37.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.603 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 26.7 mm100 -56.49 -23.51 39.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.426 ' O ' HG22 ' 1' ' 58' ' ' THR . 0.0 OUTLIER -43.01 -23.86 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.966 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.46 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -43.69 -65.07 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -120.81 17.94 11.85 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.412 ' O ' ' HB2' ' 2' ' 50' ' ' LYS . 36.6 t -98.16 -86.33 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 108.241 -179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.469 ' O ' ' C ' ' 1' ' 59' ' ' PHE . 7.9 t -42.61 -26.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.939 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.7 t80 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.4 54.39 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -90.06 71.35 7.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -117.87 -52.12 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.722 ' C ' HD23 ' 2' ' 6' ' ' LEU . . . -72.38 4.08 21.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 179.969 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.722 HD23 ' C ' ' 2' ' 5' ' ' GLY . 0.1 OUTLIER -130.79 3.95 4.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 0.775 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.414 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 77.4 p -109.08 176.77 4.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.712 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -61.91 84.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' 2' ' 12' ' ' ALA . 0.2 OUTLIER 175.27 -32.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.355 179.976 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.534 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -61.18 -30.38 70.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.815 ' HB3' HD23 ' 2' ' 52' ' ' LEU . 34.7 t -68.45 -5.17 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 108.326 179.998 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' 2' ' 9' ' ' ASN . . . -106.29 14.75 27.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.963 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -47.67 166.04 0.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.314 179.951 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.963 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.4 Cg_endo -74.94 27.0 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.48 1.779 . . . . 0.0 111.039 179.934 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.996 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 46.05 61.44 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.96 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' 2' ' 14' ' ' PRO . 2.9 ptmt -177.58 34.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -163.14 21.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' 2' ' 49' ' ' PHE . 17.7 mtt180 -90.16 174.64 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.513 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 4.6 t -101.06 20.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.513 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 30.46 87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.229 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.553 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 8.8 t -49.37 -35.7 19.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.248 -179.978 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 59.1 45.57 95.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.491 ' CE1' ' HD3' ' 2' ' 34' ' ' ARG . 0.2 OUTLIER -82.52 135.34 46.67 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 111.019 -179.987 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.1 Cg_endo -75.05 -6.87 18.57 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.477 1.777 . . . . 0.0 111.008 -179.919 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -121.61 24.06 9.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.584 179.957 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.67 HG21 ' HE3' ' 2' ' 47' ' ' TRP . 0.6 OUTLIER -43.65 119.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.72 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.6 OUTLIER -163.42 149.6 9.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.405 -179.996 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' 2' ' 38' ' ' PHE . 18.2 Cg_endo -75.06 50.2 2.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -176.69 -25.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.72 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.0 OUTLIER -92.69 -44.34 8.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 14.3 m -62.57 -57.58 10.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.58 1.175 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.8 m-80 -61.62 -6.84 2.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' 2' ' 31' ' ' CYS . 23.5 t30 -105.39 -25.68 12.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' 2' ' 35' ' ' GLY . 0.0 OUTLIER -89.97 -28.09 19.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.557 1.161 . . . . 0.0 110.339 179.968 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.529 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 126.26 20.51 1.99 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 96.9 m -120.46 168.03 11.75 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.942 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.498 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 3.8 t -116.88 128.17 54.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.082 . . . . 0.0 108.287 180.0 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 55.6 t80 -91.06 123.5 34.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.555 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 1.2 t70 -86.7 -85.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.896 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.1 t 90.4 -20.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.942 179.984 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . 0.433 ' N ' ' OD2' ' 2' ' 39' ' ' ASP . 4.5 mtp180 -61.88 -48.07 82.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.776 ' CD1' ' HB3' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -116.14 112.48 42.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.913 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -7.03 18.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.518 1.799 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -97.03 0.18 60.35 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.996 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.95 -178.1 0.56 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.4 Cg_endo -75.02 118.89 5.42 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.67 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -92.6 28.37 2.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 107.976 -179.977 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 30.7 t -170.31 103.97 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 108.322 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.667 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -137.29 -168.7 2.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -124.72 68.93 54.42 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 -179.924 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.664 ' CB ' ' HA ' ' 2' ' 11' ' ' CYS . 18.1 Cg_endo -75.02 -97.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.455 1.766 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.815 HD23 ' HB3' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -95.34 38.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.602 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 22.7 mm100 -52.52 -18.05 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.888 ' O ' HG22 ' 2' ' 58' ' ' THR . 3.5 pt-20 -41.94 -25.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.447 ' N ' ' C ' ' 2' ' 53' ' ' GLN . . . -38.01 -85.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -111.74 17.39 19.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 -179.954 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.433 ' CB ' ' O ' ' 2' ' 53' ' ' GLN . 7.4 t -95.59 -68.3 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 1.103 . . . . 0.0 108.364 179.925 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.888 HG22 ' O ' ' 2' ' 54' ' ' GLU . 14.9 t -43.58 -25.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.433 179.978 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . 0.426 ' N ' ' C ' ' 2' ' 57' ' ' CYS . 12.2 m-85 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.858 ' O ' HG13 ' 1' ' 4' ' ' VAL . 1.8 tt0 -73.74 77.61 1.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.502 ' C ' ' O ' ' 1' ' 2' ' ' GLU . 30.8 m-85 -29.38 85.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.96 -179.936 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.858 HG13 ' O ' ' 1' ' 2' ' ' GLU . 27.8 m -132.91 -44.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.407 1.067 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . 0.468 ' O ' ' CD ' ' 1' ' 10' ' ' GLN . . . -72.36 5.2 16.0 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.582 1.176 . . . . 0.0 111.043 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.713 HD12 ' N ' ' 1' ' 7' ' ' SER . 0.2 OUTLIER -113.58 -13.0 12.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 0.814 . . . . 0.0 109.34 -179.979 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . 0.713 ' N ' HD12 ' 1' ' 6' ' ' LEU . 3.4 m -110.04 -176.33 2.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.437 1.086 . . . . 0.0 109.994 -179.955 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.72 ' HA ' HD22 ' 1' ' 52' ' ' LEU . . . -44.95 148.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 179.971 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.709 ' O ' ' HB3' ' 1' ' 12' ' ' ALA . 0.4 OUTLIER 96.03 -36.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.668 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 1.1 pt20 -57.17 -41.87 80.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 40.0 t -57.85 -10.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 108.317 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.709 ' HB3' ' O ' ' 1' ' 9' ' ' ASN . . . -85.57 10.55 12.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.63 HG23 ' HD2' ' 1' ' 14' ' ' PRO . 0.2 OUTLIER -33.54 148.81 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.968 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' 1' ' 13' ' ' VAL . 18.4 Cg_endo -75.04 33.96 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.447 1.762 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.085 ' CB ' HD12 ' 1' ' 42' ' ' ILE . . . 54.44 63.2 2.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.374 -179.976 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.1 OUTLIER 163.48 42.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 -179.922 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -155.84 9.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.594 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 8.3 mtt180 -93.19 175.87 6.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 3.1 t -106.87 16.52 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.6 OUTLIER 38.6 86.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 179.953 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.628 ' SG ' ' CE1' ' 1' ' 23' ' ' TYR . 1.9 t -46.76 -38.74 10.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 108.329 179.935 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.5 56.79 6.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.566 1.166 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.647 ' O ' HG12 ' 1' ' 26' ' ' VAL . 1.7 m-85 -91.63 148.2 36.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -4.29 15.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.14 13.43 9.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.579 179.968 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' 1' ' 48' ' ' CYS . 2.1 p -44.6 125.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.945 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.666 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.3 OUTLIER -166.7 155.18 9.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.364 179.948 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.597 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.1 Cg_endo -74.94 52.08 2.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.457 1.767 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.0 OUTLIER 176.62 -20.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.666 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.1 OUTLIER -96.66 -44.49 7.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 0.0 110.319 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 56.8 m -56.21 -53.17 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 0.0 108.274 -179.982 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -67.03 -2.45 5.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 35.7 t-20 -105.27 -28.92 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' 1' ' 30' ' ' GLU . 0.1 OUTLIER -85.19 -26.89 26.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.992 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.483 ' O ' ' HG3' ' 1' ' 53' ' ' GLN . . . 122.75 26.46 1.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 111.01 -179.975 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 72.0 m -119.85 176.66 5.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.991 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' 1' ' 49' ' ' PHE . 5.2 t -121.54 123.4 41.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 108.28 -179.959 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.597 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 37.8 t80 -93.96 119.08 32.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 33.3 t70 -85.68 -79.8 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' 1' ' 39' ' ' ASP . 0.3 OUTLIER 85.6 -14.7 0.54 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.991 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 18.1 mtm105 -66.17 -42.21 89.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.954 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 1.085 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 1.2 mt -122.38 109.25 33.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.453 ' HA ' ' NE1' ' 1' ' 47' ' ' TRP . 18.1 Cg_endo -74.98 -3.13 13.47 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.551 1.816 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.14 -7.52 62.26 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.486 1.116 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 0.925 HG11 ' HB1' ' 1' ' 15' ' ' ALA . 1.1 m -121.33 -175.94 0.38 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.609 ' HD2' ' HB ' ' 1' ' 45' ' ' VAL . 18.3 Cg_endo -74.94 117.21 4.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.453 ' NE1' ' HA ' ' 1' ' 43' ' ' PRO . 0.0 OUTLIER -92.98 28.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 107.988 179.978 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.729 ' HB2' HG23 ' 1' ' 26' ' ' VAL . 49.9 t -170.48 108.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.285 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.616 ' CE2' ' HG3' ' 1' ' 51' ' ' PRO . 0.2 OUTLIER -145.51 -168.61 3.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 -179.978 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -124.11 70.27 51.12 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.668 ' C ' ' CD ' ' 1' ' 10' ' ' GLN . 18.3 Cg_endo -75.01 -100.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.72 HD22 ' HA ' ' 1' ' 8' ' ' ALA . 0.3 OUTLIER -90.72 33.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.992 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.605 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 27.8 mm100 -52.36 -19.41 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.254 179.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.548 ' HB2' HG21 ' 1' ' 58' ' ' THR . 7.3 pt-20 -40.92 -26.96 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 -179.941 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.438 ' N ' ' C ' ' 1' ' 53' ' ' GLN . . . -37.45 -73.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . 0.468 ' O ' ' NZ ' ' 2' ' 50' ' ' LYS . 0.4 OUTLIER -127.73 24.2 6.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.933 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.426 ' HB2' ' HB3' ' 1' ' 53' ' ' GLN . 4.2 t -105.11 -53.03 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.548 HG21 ' HB2' ' 1' ' 54' ' ' GLU . 2.5 t -80.65 -37.71 30.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.569 1.168 . . . . 0.0 110.382 -179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' 1' ' 58' ' ' THR . 4.6 t80 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -85.46 73.3 10.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.481 ' HA ' HD23 ' 2' ' 6' ' ' LEU . 8.6 m-85 -76.34 82.74 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.417 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 49.1 t -124.36 -56.06 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.97 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -72.31 7.4 8.33 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.97 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -144.79 15.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 0.811 . . . . 0.0 109.249 -179.962 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.595 ' O ' ' HB2' ' 2' ' 10' ' ' GLN . 63.8 p -117.66 -156.33 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.996 179.945 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.647 ' O ' ' CB ' ' 2' ' 9' ' ' ASN . . . -51.11 143.12 11.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.914 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.647 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 0.3 OUTLIER 94.62 -28.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.616 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -60.52 -32.2 71.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.246 -179.992 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 1.146 ' SG ' ' SG ' ' 2' ' 37' ' ' CYS . 1.8 m -65.82 -10.76 40.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 108.292 -179.976 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -113.8 25.39 11.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.913 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -42.9 168.39 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.594 1.184 . . . . 0.0 109.33 179.989 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.913 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.2 Cg_endo -75.11 26.15 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.531 1.806 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 0.93 ' CB ' HD12 ' 2' ' 42' ' ' ILE . . . 46.23 67.41 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.484 ' CG ' ' O ' ' 2' ' 14' ' ' PRO . 0.0 OUTLIER 165.48 41.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.934 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -163.97 15.29 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.642 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 21.4 mtt180 -87.96 175.52 7.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.18 . . . . 0.0 110.335 179.948 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.557 HG12 ' O ' ' 2' ' 19' ' ' VAL . 44.9 t -105.92 19.19 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.514 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.5 OUTLIER 31.63 85.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.29 -179.966 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' 2' ' 48' ' ' CYS . 0.1 OUTLIER -50.08 -36.13 28.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 108.353 179.969 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 50.69 58.45 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.105 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.669 ' CE1' ' CD ' ' 2' ' 34' ' ' ARG . 0.6 OUTLIER -90.99 141.93 26.97 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 0.737 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 2' ' 23' ' ' TYR . 18.2 Cg_endo -75.0 -2.17 12.19 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' 2' ' 26' ' ' VAL . 0.1 OUTLIER -124.77 10.5 8.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.562 -179.957 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.721 HG23 ' HB2' ' 2' ' 48' ' ' CYS . 1.5 p -37.76 122.35 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.626 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.4 OUTLIER -167.86 159.17 9.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.976 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.5 Cg_endo -74.95 47.86 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.506 1.793 . . . . 0.0 111.029 179.918 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 0.1 OUTLIER 179.56 -15.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.626 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.4 OUTLIER -99.17 -46.89 5.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.502 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 86.9 m -54.26 -56.79 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 0.0 108.316 -179.973 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -61.31 -11.84 11.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 179.97 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -89.74 -35.85 15.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.669 ' CD ' ' CE1' ' 2' ' 23' ' ' TYR . 0.0 OUTLIER -83.59 -25.44 30.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 -179.967 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.544 ' C ' ' NE2' ' 2' ' 53' ' ' GLN . . . 118.59 25.82 2.77 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.526 1.141 . . . . 0.0 111.067 -179.957 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 59.8 m -120.46 161.79 20.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.972 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 1.146 ' SG ' ' SG ' ' 2' ' 11' ' ' CYS . 0.1 OUTLIER -108.01 125.81 51.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 108.334 179.968 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' 2' ' 47' ' ' TRP . 36.4 t80 -87.68 120.76 29.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.567 ' CG ' ' N ' ' 2' ' 40' ' ' SER . 0.0 OUTLIER -80.07 -83.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.567 ' N ' ' CG ' ' 2' ' 39' ' ' ASP . 0.9 OUTLIER 85.67 -22.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.012 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 mtm105 -64.81 -44.03 91.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.93 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.9 OUTLIER -118.45 109.67 40.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.986 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -6.86 18.56 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.45 -4.55 65.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 0.563 HG11 ' HB1' ' 2' ' 15' ' ' ALA . 1.0 OUTLIER -120.46 -177.14 0.45 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.74 . . . . 0.0 109.344 179.963 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' HB ' ' 2' ' 45' ' ' VAL . 18.3 Cg_endo -75.03 120.22 5.97 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.586 1.835 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.515 ' HA ' ' HB3' ' 2' ' 39' ' ' ASP . 0.0 OUTLIER -92.09 26.69 2.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 108.021 -179.993 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.721 ' HB2' HG23 ' 2' ' 26' ' ' VAL . 9.0 t -168.98 105.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.304 -179.967 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.654 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -144.04 -170.97 3.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 111.051 179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.618 ' HA ' ' CG ' ' 2' ' 53' ' ' GLN . 0.0 OUTLIER -123.06 69.69 39.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.985 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.789 ' HG2' ' SG ' ' 2' ' 11' ' ' CYS . 18.2 Cg_endo -74.98 -91.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.542 1.812 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.905 HD23 ' HB2' ' 2' ' 11' ' ' CYS . 0.2 OUTLIER -100.84 38.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.593 1.183 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.618 ' CG ' ' HA ' ' 2' ' 50' ' ' LYS . 24.3 mm100 -49.76 -20.04 0.76 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' 2' ' 55' ' ' ALA . 1.2 pp20? -39.19 -26.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 -179.953 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.507 ' C ' ' O ' ' 2' ' 54' ' ' GLU . . . -31.18 -61.92 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.359 179.993 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' 1' ' 50' ' ' LYS . 0.2 OUTLIER -136.76 14.69 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.381 179.958 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . 0.524 ' HB2' ' O ' ' 2' ' 53' ' ' GLN . 0.5 OUTLIER -90.58 -80.11 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 108.302 -179.975 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.402 ' OG1' ' HB3' ' 1' ' 54' ' ' GLU . 6.0 t -46.9 -32.32 3.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.442 179.997 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.056 179.948 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' 1' 1 ' 1' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' 1' 1 ' 2' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' 1' ' 4' ' ' VAL . 3.4 tt0 -89.58 61.23 5.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 3' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' 1' ' 3' ' ' TYR . 22.1 p90 -67.67 66.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 4' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' 1' ' 2' ' ' GLU . 53.8 t -117.83 -61.51 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.29 4.81 7.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.436 1.085 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 1' 1 ' 6' ' ' LEU . . . . . 0.65 ' N ' HD13 ' 1' ' 6' ' ' LEU . 0.0 OUTLIER -143.37 15.07 1.83 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 0.763 . . . . 0.0 109.273 179.98 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 7' ' ' SER . . . . . . . . . . . . . 1.4 p -74.99 -171.34 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.051 179.927 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 1' 1 ' 8' ' ' ALA . . . . . 0.936 ' HA ' HD12 ' 1' ' 52' ' ' LEU . . . -71.38 -6.58 41.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.925 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 9' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' 1' ' 12' ' ' ALA . 8.2 t-20 -100.78 -5.07 26.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 10' ' ' GLN . . . . . 0.613 ' CD ' ' C ' ' 1' ' 51' ' ' PRO . 5.6 pt20 -64.99 -37.88 89.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 11' ' ' CYS . . . . . 0.667 ' HA ' ' CB ' ' 1' ' 51' ' ' PRO . 19.7 t -64.29 -8.2 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 108.322 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 12' ' ' ALA . . . . . 0.49 ' HB3' ' ND2' ' 1' ' 9' ' ' ASN . . . -108.67 17.01 22.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 13' ' ' VAL . . . . . 0.931 HG22 ' HD2' ' 1' ' 14' ' ' PRO . 0.4 OUTLIER -44.48 167.75 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.948 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 14' ' ' PRO . . . . . 0.931 ' HD2' HG22 ' 1' ' 13' ' ' VAL . 18.2 Cg_endo -74.89 27.96 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 15' ' ' ALA . . . . . 1.002 ' HB1' HG21 ' 1' ' 45' ' ' VAL . . . 53.14 72.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.387 -179.899 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 16' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' 1' ' 15' ' ' ALA . 0.0 OUTLIER 164.98 41.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 17' ' ' ASP . . . . . 0.704 ' HB3' HG21 ' 1' ' 13' ' ' VAL . 8.3 t70 -158.28 9.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.935 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 18' ' ' ARG . . . . . 0.574 ' HB3' ' CB ' ' 1' ' 49' ' ' PHE . 7.4 mtt180 -91.18 177.29 6.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.261 -179.944 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 19' ' ' VAL . . . . . 0.506 ' O ' ' C ' ' 1' ' 20' ' ' ASP . 2.9 t -109.73 20.04 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 20' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' 1' ' 19' ' ' VAL . 0.5 OUTLIER 32.73 87.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 21' ' ' CYS . . . . . 0.571 ' N ' ' O ' ' 1' ' 48' ' ' CYS . 1.3 t -52.15 -34.35 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 108.383 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 22' ' ' GLY . . . . . . . . . . . . . . . 48.03 64.58 2.93 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 1' 1 ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CD ' ' 1' ' 34' ' ' ARG . 0.3 OUTLIER -92.25 140.59 24.42 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.733 . . . . 0.0 110.995 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 24' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' 1' ' 23' ' ' TYR . 18.3 Cg_endo -75.02 -2.05 12.04 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 25' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -130.47 19.4 5.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.666 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 1' 1 ' 26' ' ' VAL . . . . . 0.575 ' HA ' ' SG ' ' 1' ' 31' ' ' CYS . 1.5 p -42.29 128.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.366 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 27' ' ' THR . . . . . 0.708 HG22 ' H ' ' 1' ' 30' ' ' GLU . 0.6 OUTLIER -163.34 152.2 12.14 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.432 -179.957 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 28' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 18.3 Cg_endo -74.97 51.81 2.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.522 1.801 . . . . 0.0 111.041 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 29' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' 1' ' 28' ' ' PRO . 0.2 OUTLIER 176.71 -21.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 30' ' ' GLU . . . . . 0.708 ' H ' HG22 ' 1' ' 27' ' ' THR . 0.9 OUTLIER -95.46 -43.46 7.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.993 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 31' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' 1' ' 26' ' ' VAL . 40.6 m -56.36 -50.7 70.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 32' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' 1' ' 36' ' ' CYS . 1.6 m-80 -69.05 -3.43 13.13 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 33' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' 1' ' 29' ' ' LYS . 28.1 t30 -104.42 -27.35 11.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 34' ' ' ARG . . . . . 0.641 ' CD ' ' CE1' ' 1' ' 23' ' ' TYR . 0.0 OUTLIER -84.49 -26.17 28.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 35' ' ' GLY . . . . . 0.465 ' C ' ' NE2' ' 1' ' 53' ' ' GLN . . . 121.99 23.55 2.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 36' ' ' CYS . . . . . 0.602 ' HA ' ' O ' ' 1' ' 49' ' ' PHE . 36.8 m -120.93 -177.54 3.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 37' ' ' CYS . . . . . 0.569 ' CB ' ' CG ' ' 1' ' 51' ' ' PRO . 6.6 t -126.91 126.4 43.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.324 179.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 38' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' 1' ' 28' ' ' PRO . 55.7 t80 -89.56 123.1 33.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 39' ' ' ASP . . . . . 0.537 ' O ' ' CB ' ' 1' ' 40' ' ' SER . 22.6 t70 -91.3 -82.44 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.268 179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 40' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' 1' ' 38' ' ' PHE . 1.0 OUTLIER 88.9 -15.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 41' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -58.53 -60.53 3.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.174 . . . . 0.0 110.367 179.968 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 1' 1 ' 42' ' ' ILE . . . . . 0.653 HD12 ' CB ' ' 1' ' 15' ' ' ALA . 0.2 OUTLIER -110.45 126.54 28.67 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 179.921 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' 1' ' 42' ' ' ILE . 18.3 Cg_endo -74.99 -13.09 21.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.9 -8.85 64.64 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 1' 1 ' 45' ' ' VAL . . . . . 1.002 HG21 ' HB1' ' 1' ' 15' ' ' ALA . 0.4 OUTLIER -107.01 169.5 6.7 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 0.732 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 46' ' ' PRO . . . . . 0.877 ' HD2' HG22 ' 1' ' 45' ' ' VAL . 18.2 Cg_endo -75.05 113.02 3.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.786 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 47' ' ' TRP . . . . . 0.422 ' HE3' HG21 ' 1' ' 26' ' ' VAL . 0.0 OUTLIER -86.41 28.65 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 1.161 . . . . 0.0 108.027 179.973 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 48' ' ' CYS . . . . . 0.571 ' O ' ' N ' ' 1' ' 21' ' ' CYS . 11.6 t -169.79 98.92 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 108.264 -179.915 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 49' ' ' PHE . . . . . 0.675 ' N ' ' CD1' ' 1' ' 49' ' ' PHE . 0.1 OUTLIER -137.84 -169.46 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.028 179.975 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 50' ' ' LYS . . . . . 0.606 ' HA ' ' CG ' ' 1' ' 53' ' ' GLN . 0.0 OUTLIER -121.55 68.5 21.9 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.315 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 51' ' ' PRO . . . . . 0.667 ' CB ' ' HA ' ' 1' ' 11' ' ' CYS . 18.2 Cg_endo -74.94 -99.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.453 1.765 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 52' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' 1' ' 8' ' ' ALA . 0.1 OUTLIER -88.11 32.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.07 . . . . 0.0 109.291 -179.968 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 53' ' ' GLN . . . . . 0.606 ' CG ' ' HA ' ' 1' ' 50' ' ' LYS . 30.2 mm100 -55.86 -21.19 18.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 54' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' 1' ' 55' ' ' ALA . 0.1 OUTLIER -44.8 -23.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.0 110.376 179.954 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 55' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' 1' ' 54' ' ' GLU . . . -36.83 -64.58 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -137.52 22.43 2.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 179.959 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 57' ' ' CYS . . . . . 0.577 ' SG ' ' N ' ' 1' ' 58' ' ' THR . 0.5 OUTLIER -102.24 -55.06 2.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 108.36 179.912 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 1' 1 ' 58' ' ' THR . . . . . 0.577 ' N ' ' SG ' ' 1' ' 57' ' ' CYS . 4.0 t -64.51 -41.45 96.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 1' 1 ' 59' ' ' PHE . . . . . 0.418 ' C ' ' O ' ' 1' ' 58' ' ' THR . 36.8 t80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.147 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 2' 2 ' 1' ' ' GLU . . . . . 0.402 ' HB2' ' CE2' ' 2' ' 3' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -90.19 73.28 7.19 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.956 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 2' 2 ' 3' ' ' TYR . . . . . 0.452 ' HA ' ' CD2' ' 2' ' 6' ' ' LEU . 0.2 OUTLIER -91.65 72.03 5.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.988 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 4' ' ' VAL . . . . . 0.49 ' C ' ' H ' ' 2' ' 6' ' ' LEU . 0.0 OUTLIER -131.29 -57.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 -179.975 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 5' ' ' GLY . . . . . 0.799 ' C ' HD13 ' 2' ' 6' ' ' LEU . . . -68.42 6.62 3.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.971 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 6' ' ' LEU . . . . . 0.799 HD13 ' C ' ' 2' ' 5' ' ' GLY . 0.0 OUTLIER -155.65 29.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.431 0.724 . . . . 0.0 109.303 179.943 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 7' ' ' SER . . . . . 0.405 ' O ' ' N ' ' 2' ' 9' ' ' ASN . 0.1 OUTLIER -107.87 160.47 15.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.011 179.955 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 8' ' ' ALA . . . . . 0.749 ' HA ' HD13 ' 2' ' 52' ' ' LEU . . . -59.15 88.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 9' ' ' ASN . . . . . 0.426 ' CB ' ' O ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER 161.6 -23.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.355 1.034 . . . . 0.0 109.266 179.986 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 10' ' ' GLN . . . . . 0.764 ' NE2' ' HA ' ' 2' ' 51' ' ' PRO . 0.0 OUTLIER -59.68 -34.76 73.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.112 . . . . 0.0 110.345 179.963 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 11' ' ' CYS . . . . . 0.629 ' HA ' ' CB ' ' 2' ' 51' ' ' PRO . 46.0 t -75.88 -0.26 20.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 108.315 179.987 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 12' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' 2' ' 13' ' ' VAL . . . -111.19 6.7 20.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 13' ' ' VAL . . . . . 0.94 HG22 ' HD2' ' 2' ' 14' ' ' PRO . 0.4 OUTLIER -40.89 162.94 0.1 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.977 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 14' ' ' PRO . . . . . 0.94 ' HD2' HG22 ' 2' ' 13' ' ' VAL . 18.1 Cg_endo -74.96 27.41 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 0.0 111.051 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 15' ' ' ALA . . . . . 1.139 ' HB1' HG21 ' 2' ' 45' ' ' VAL . . . 49.1 69.93 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 16' ' ' LYS . . . . . 0.53 ' CG ' ' C ' ' 2' ' 15' ' ' ALA . 0.0 OUTLIER 167.84 49.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.971 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 17' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' 2' ' 18' ' ' ARG . 22.8 t0 -164.52 -28.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 18' ' ' ARG . . . . . 0.649 ' CZ ' ' CZ ' ' 2' ' 49' ' ' PHE . 14.3 mtt180 -47.06 175.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 19' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' 2' ' 20' ' ' ASP . 13.0 t -108.16 19.43 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 20' ' ' ASP . . . . . 0.488 ' C ' ' O ' ' 2' ' 19' ' ' VAL . 0.3 OUTLIER 33.0 87.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' CD2' ' 2' ' 23' ' ' TYR . 14.3 t -41.49 -40.18 1.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.298 -179.978 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.26 47.72 85.46 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.563 1.164 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 2' 2 ' 23' ' ' TYR . . . . . 0.659 ' CD2' ' SG ' ' 2' ' 21' ' ' CYS . 0.1 OUTLIER -91.96 132.68 32.08 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.553 0.796 . . . . 0.0 110.98 179.993 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -4.1 14.89 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 2' 2 ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -118.39 13.07 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.615 179.975 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 26' ' ' VAL . . . . . 0.605 ' HA ' ' SG ' ' 2' ' 31' ' ' CYS . 1.4 p -40.53 128.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.188 179.998 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 27' ' ' THR . . . . . 0.604 HG22 ' H ' ' 2' ' 30' ' ' GLU . 0.5 OUTLIER -166.34 154.31 9.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 110.373 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 28' ' ' PRO . . . . . 0.584 ' HD2' HG23 ' 2' ' 27' ' ' THR . 18.2 Cg_endo -75.01 47.09 1.66 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 29' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' 2' ' 28' ' ' PRO . 8.0 tttt -179.26 -15.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 30' ' ' GLU . . . . . 0.604 ' H ' HG22 ' 2' ' 27' ' ' THR . 0.7 OUTLIER -100.64 -44.5 5.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.422 1.076 . . . . 0.0 110.28 179.945 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' HA ' ' 2' ' 26' ' ' VAL . 55.9 m -56.92 -56.09 26.16 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.533 1.145 . . . . 0.0 108.24 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 32' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' 2' ' 36' ' ' CYS . 1.4 m-80 -61.44 -13.43 20.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 33' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -96.46 -25.17 15.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.253 -179.931 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 2' 2 ' 34' ' ' ARG . . . . . 0.577 ' CB ' ' CE2' ' 2' ' 23' ' ' TYR . 0.1 OUTLIER -88.13 -24.94 23.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.485 1.116 . . . . 0.0 110.352 179.962 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' 2' ' 53' ' ' GLN . . . 118.43 21.9 3.89 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.567 1.167 . . . . 0.0 111.024 -179.956 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 36' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' 2' ' 49' ' ' PHE . 5.6 m -121.49 174.81 6.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.981 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 37' ' ' CYS . . . . . 0.542 ' CB ' ' CG ' ' 2' ' 51' ' ' PRO . 4.4 t -116.49 133.09 56.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 108.267 -179.958 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 38' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' 2' ' 28' ' ' PRO . 43.0 t80 -88.85 124.56 34.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 39' ' ' ASP . . . . . 0.594 ' O ' ' CB ' ' 2' ' 40' ' ' SER . 7.7 t70 -68.44 -98.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 40' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' 2' ' 39' ' ' ASP . 1.7 t 93.31 -11.43 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.989 -179.965 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 41' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' 2' ' 41' ' ' ARG . 3.5 mtp-105 -91.12 -59.07 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 42' ' ' ILE . . . . . 0.838 HD12 ' CB ' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -109.25 118.32 51.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -11.63 21.6 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 111.062 179.934 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 2' 2 ' 44' ' ' GLY . . . . . . . . . . . . . . . -90.77 -8.65 65.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.438 1.086 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 2' 2 ' 45' ' ' VAL . . . . . 1.139 HG21 ' HB1' ' 2' ' 15' ' ' ALA . 0.4 OUTLIER -105.88 170.84 5.4 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 46' ' ' PRO . . . . . 0.906 ' HD2' HG22 ' 2' ' 45' ' ' VAL . 18.1 Cg_endo -75.01 115.73 4.37 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 47' ' ' TRP . . . . . 0.523 ' HE3' HG21 ' 2' ' 26' ' ' VAL . 0.0 OUTLIER -86.32 30.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 108.036 179.971 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 48' ' ' CYS . . . . . 0.653 ' O ' ' N ' ' 2' ' 21' ' ' CYS . 1.8 t -169.35 95.21 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 108.288 -179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 49' ' ' PHE . . . . . 0.655 ' N ' ' CD1' ' 2' ' 49' ' ' PHE . 0.1 OUTLIER -139.11 -175.36 4.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.96 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 50' ' ' LYS . . . . . 0.513 ' CE ' ' SG ' ' 2' ' 21' ' ' CYS . 0.4 OUTLIER -116.95 70.64 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 51' ' ' PRO . . . . . 0.764 ' HA ' ' NE2' ' 2' ' 10' ' ' GLN . 18.4 Cg_endo -74.97 -105.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 52' ' ' LEU . . . . . 0.749 HD13 ' HA ' ' 2' ' 8' ' ' ALA . 0.2 OUTLIER -97.69 37.27 1.4 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 -179.987 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' 2' 2 ' 53' ' ' GLN . . . . . 0.476 ' OE1' ' C ' ' 2' ' 36' ' ' CYS . 20.4 mm100 -43.11 -24.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 54' ' ' GLU . . . . . 0.606 ' O ' HG22 ' 2' ' 58' ' ' THR . 4.8 pt-20 -40.15 -26.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 55' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' 2' ' 53' ' ' GLN . . . -37.99 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 179.951 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -118.8 22.07 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 2' 2 ' 57' ' ' CYS . . . . . . . . . . . . . 7.1 t -98.63 -72.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 108.308 -179.985 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' 2' 2 ' 58' ' ' THR . . . . . 0.606 HG22 ' O ' ' 2' ' 54' ' ' GLU . 12.6 t -47.28 -29.29 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.46 179.966 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' 2' 2 ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 110.935 179.993 . . . . . . . . 0 0 . 1 stop_ save_